4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene
| Property | Value |
| Casrn | 62378-58-9 |
| MolName | 4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene |
| MolecularFormula | C10H15OF5S |
| Smiles | CCCCSC(CC(C(F)(F)F)=C(F)F)OC |
| InChI | InChI=1S/C10H15F5OS/c1-3-4-5-17-8(16-2)6-7(9(11)12)10(13,14)15/h8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIK | SJLLQOXBNVISGK-QMMMGPOBSA-N |
| CanonicalSyTyLFy | 2262ef6cbbaf09b3 |
| TotalMolweight | 278.284 |
| Molweight | 278.284 |
| MonoisotopicMass | 278.076375 |
| CLogP | 4.3311 |
| CLogS | -5.166 |
| H Acceptors | 1 |
| TotalSurfaceArea | 198.13 |
| Relative PSA | 0.13875 |
| PolarSurfaceArea | 34.53 |
| Druglikeness | -8.3895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Molecula Flexibility | 0.77098 |
| Molecular Complexity | 0.57505 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
| Property | Value |
| Casrn | 62378-58-9 |
| MolName | 4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene |
| MolecularFormula | C10H15OF5S |
| Smiles | CCCCSC(CC(C(F)(F)F)=C(F)F)OC |
| InChI | InChI=1S/C10H15F5OS/c1-3-4-5-17-8(16-2)6-7(9(11)12)10(13,14)15/h8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIK | SJLLQOXBNVISGK-QMMMGPOBSA-N |
| CanonicalSyTyLFy | 2262ef6cbbaf09b3 |
| TotalMolweight | 278.284 |
| Molweight | 278.284 |
| MonoisotopicMass | 278.076375 |
| CLogP | 4.3311 |
| CLogS | -5.166 |
| H Acceptors | 1 |
| TotalSurfaceArea | 198.13 |
| Relative PSA | 0.13875 |
| PolarSurfaceArea | 34.53 |
| Druglikeness | -8.3895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Molecula Flexibility | 0.77098 |
| Molecular Complexity | 0.57505 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
| Property | Value |
| Casrn | 62378-58-9 |
| MolName | 4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene |
| MolecularFormula | C10H15OF5S |
| Smiles | CCCCSC(CC(C(F)(F)F)=C(F)F)OC |
| InChI | InChI=1S/C10H15F5OS/c1-3-4-5-17-8(16-2)6-7(9(11)12)10(13,14)15/h8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIK | SJLLQOXBNVISGK-QMMMGPOBSA-N |
| CanonicalSyTyLFy | 2262ef6cbbaf09b3 |
| TotalMolweight | 278.284 |
| Molweight | 278.284 |
| MonoisotopicMass | 278.076375 |
| CLogP | 4.3311 |
| CLogS | -5.166 |
| H Acceptors | 1 |
| TotalSurfaceArea | 198.13 |
| Relative PSA | 0.13875 |
| PolarSurfaceArea | 34.53 |
| Druglikeness | -8.3895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Molecula Flexibility | 0.77098 |
| Molecular Complexity | 0.57505 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness | ChemrytIQ |
| 1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 | ChemrytIQ |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 | ChemrytIQ |
| 100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 | ChemrytIQ |
| 100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 | ChemrytIQ |
| 1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 | ChemrytIQ |
| 10-13-2009 | none | none | none | C15H14O5 | 274.271 | -1.4702 | ChemrytIQ |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 | ChemrytIQ |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 | ChemrytIQ |
| 100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 | ChemrytIQ |
| 1000304-40-4 | none | none | none | C11H17NO | 179.262 | 2.2651 | ChemrytIQ |
| 1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 | ChemrytIQ |
| 100-26-5 | none | none | none | C7H5NO4 | 167.12 | -1.5746 | ChemrytIQ |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 | ChemrytIQ |
| 10003-73-3 | none | none | none | HCl.C7H10N2 | 122.17 | -2.0712 | ChemrytIQ |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 | ChemrytIQ |
| 100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 | ChemrytIQ |
| 1000-28-8 | none | none | none | C6H3OF11 | 300.067 | -44.343 | ChemrytIQ |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 | ChemrytIQ |
| 1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 | ChemrytIQ |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 | ChemrytIQ |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 | ChemrytIQ |
| 1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 | ChemrytIQ |
| 1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 | ChemrytIQ |
| 1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 | ChemrytIQ |
| 100-50-5 | none | none | high | C7H10O | 110.155 | -9.6048 | ChemrytIQ |
| 100-48-1 | none | none | none | C6H4N2 | 104.112 | -6.0498 | ChemrytIQ |
| 1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 | ChemrytIQ |
| 1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 | ChemrytIQ |
| 100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 | ChemrytIQ |
| 1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 | ChemrytIQ |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 | ChemrytIQ |
| 100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 | ChemrytIQ |
| 1000269-65-7 | none | none | none | C12H19N3 | 205.304 | 0.25629 | ChemrytIQ |
| 100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 | ChemrytIQ |
| 1000018-22-3 | none | none | none | C16H22N3O4Br | 400.272 | -33.051 | ChemrytIQ |
| 100-70-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 | ChemrytIQ |
| 1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 | ChemrytIQ |
| 1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 | ChemrytIQ |
| 100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 | ChemrytIQ |
| 1000339-24-1 | none | none | none | C7H4NOF | 137.113 | -7.3916 | ChemrytIQ |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 | ChemrytIQ |
| 1000017-94-6 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 | ChemrytIQ |
| 100-18-5 | none | none | none | C12H18 | 162.275 | -2.5088 | ChemrytIQ |
| 1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 | ChemrytIQ |
| 100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 | ChemrytIQ |
| 100016-58-8 | none | high | none | C19H19NO5 | 341.362 | 1.8385 | ChemrytIQ |
| 100-13-0 | none | none | low | C8H7NO2 | 149.149 | -10.212 | ChemrytIQ |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 | ChemrytIQ |
| 1000-16-4 | none | none | none | C13H30NO3P | 279.359 | -34.244 | ChemrytIQ |
| 100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 | ChemrytIQ |
| 100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 | ChemrytIQ |
| 100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 | ChemrytIQ |
| 1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 | ChemrytIQ |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 | ChemrytIQ |
| 100007-62-3 | none | none | high | C8H13NO | 139.197 | -8.1398 | ChemrytIQ |
| 100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 | ChemrytIQ |
| 1000-50-6 | none | none | high | C6H15ClSi | 150.724 | -84.768 | ChemrytIQ |
| 1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 | ChemrytIQ |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 | ChemrytIQ |
| 100004-95-3 | none | none | none | C13H11NO3 | 229.234 | -1.3547 | ChemrytIQ |
1 — Click to Load Molecule — 4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene | 2 — Click to Load Molecule — 4-(Butylsulfanyl)-1,1-difluoro-4-methoxy-2-(trifluoromethyl)but-1-ene
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