3-[4-(trifluoromethyl)phenyl]pyrrolidine
Formula:C11H12NF3
CAS:1000198-76-4
| Property | Value |
| Casrn | 1000198-76-4 |
| MolName | 3-[4-(trifluoromethyl)phenyl]pyrrolidine |
| MolecularFormula | C11H12NF3 |
| Smiles | FC(c1ccc(C2CNCC2)cc1)(F)F |
| InChI | InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2/t9-/m0/s1 |
| InChIK | MMHBTMCYKWWNNS-VIFPVBQESA-N |
| CanonicalSyTyLFy | b81a0803d1032b76 |
| TotalMolweight | 215.217 |
| Molweight | 215.217 |
| MonoisotopicMass | 215.092183 |
| CLogP | 2.9952 |
| CLogS | -2.866 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 154.46 |
| Relative PSA | 0.074194 |
| PolarSurfaceArea | 12.03 |
| Druglikeness | -5.8988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Molecula Flexibility | 0.45501 |
| Molecular Complexity | 0.63799 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
| 100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
| 1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
| 100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
| 100008-89-7 | none | none | none | C11H10N4O3 | 246.225 | -1.8465 |
| 100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 |
| 100004-95-3 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 |
| 100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
| 100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
| 10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 |
| 100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
| 1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
| 1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 100005-68-3 | none | none | none | C13H12O4 | 232.234 | -4.9451 |
| 1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
| 1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 |
| 1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 1000018-21-2 | none | none | none | C17H25N3O6S | 399.467 | -41.344 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
| 100-87-8 | none | none | none | C7H8O3S | 172.204 | -10.732 |
| 100-59-4 | none | none | none | Cl.C6H5Mg | 101.411 | -2.3575 |
| 100-18-5 | none | none | none | C12H18 | 162.275 | -2.5088 |
| 1000-78-8 | high | low | none | C11H24N2 | 184.326 | -10.254 |
| 1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 |
| 100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 |
| 1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
| 1000018-10-9 | none | none | none | C7H8N2OBr2 | 295.962 | -5.2121 |
| 100-50-5 | none | none | high | C7H10O | 110.155 | -9.6048 |
| 1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
| 100031-88-7 | none | none | high | C10H30O3Si4 | 310.689 | -53.619 |
| 100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
| 1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
| 100-55-0 | none | none | none | C6H7NO | 109.128 | -1.9045 |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
| 100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 |
| 100007-87-2 | none | none | none | C16H9N2OBr | 325.164 | 0.88714 |
| 100012-49-5 | none | none | none | C10H2O4Br4 | 505.738 | -8.4981 |
| 100021-05-4 | none | none | none | C21H28O2 | 312.451 | 0.95307 |
| 100-79-8 | none | low | none | C6H12O3 | 132.158 | -9.8672 |
| 100-62-9 | low | none | none | C7H7N | 105.14 | -1.1924 |
| 1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
| 100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 |
| 100-85-6 | none | none | none | HO.C10H16N | 150.244 | -2.6575 |
| 10001-43-1 | none | none | none | C15H18N6O2 | 314.348 | 4.1828 |