Chemical : 3-Fluoro-2-(fluoromethyl)-2-methylpropanoyl chloride
Casrn : 100007-67-8 |
MolName : 3-Fluoro-2-(fluoromethyl)-2-methylpropanoyl chloride |
MolecularFormula : C5H7OClF2 |
Smiles : CC(CF)(CF)C(Cl)=O |
InChI : InChI=1S/C5H7ClF2O/c1-5(2-7,3-8)4(6)9/h2-3H2,1H3 |
InChIK : RETAOTRQACSYQO-UHFFFAOYSA-N |
CanonicalSyTyLFy : 4f2c6c46628abbad |
TotalMolweight : 156.559 |
Molweight : 156.559 |
MonoisotopicMass : 156.015348 |
CLogP : 0.8701 |
CLogS : -1.292 |
H Acceptors : 1 |
TotalSurfaceArea : 109.56 |
Relative PSA : 0.11902 |
PolarSurfaceArea : 17.07 |
Druglikeness : -12.702 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-halogenide type |
Shape Index : 0.55556 |
Molecula Flexibility : 0.86621 |
Molecular Complexity : 0.54931 |
Fragments : 1 |
Non HAtoms : 9 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 |
1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 |
1000269-68-0 | none | none | none | C14H24N4 | 248.373 | 0.99367 |
100-87-8 | none | none | none | C7H8O3S | 172.204 | -10.732 |
1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 |
10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 |
100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
1000339-24-1 | none | none | none | C7H4NOF | 137.113 | -7.3916 |
1000284-35-4 | none | none | high | C16H24O4 | 280.363 | -11.936 |
1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 |
1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 |
1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |
1000339-54-7 | none | none | none | C9H7O2F3 | 204.147 | -11.176 |
100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 |
1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 |
100008-84-2 | none | none | none | C22H14N2O2 | 338.365 | 3.1859 |
1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 |
100-57-2 | high | low | low | C6H6OHg | 294.703 | -2.3891 |
100-59-4 | none | none | none | Cl.C6H5Mg | 101.411 | -2.3575 |
100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
1000-91-5 | none | none | high | C5H14OSi | 118.251 | -35.679 |
1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
100031-88-7 | none | none | high | C10H30O3Si4 | 310.689 | -53.619 |
1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 |
100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
10001-46-4 | none | none | none | C9H11N3O3 | 209.204 | 1.9565 |
100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 |
100-85-6 | none | none | none | HO.C10H16N | 150.244 | -2.6575 |
100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
100021-05-4 | none | none | none | C21H28O2 | 312.451 | 0.95307 |
100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 |
1000018-51-8 | none | none | none | C10H10N2O2S2 | 254.333 | 1.3137 |
100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 |