(E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-en-1-ol
Formula:C6H5O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-en-1-ol |
| MolecularFormula | C6H5O2F7 |
| Smiles | OC/C=C/C(C(F)(F)F)(OC(F)(F)F)F |
| InChI | InChI=1S/C6H5F7O2/c7-4(2-1-3-14,5(8,9)10)15-6(11,12)13/h1-2,14H,3H2/t4-/m0/s1 |
| InChIK | CZEJAYVQMKAUOR-BYPYZUCNSA-N |
| TotalMolweight | 242.09 |
| Molweight | 242.09 |
| MonoisotopicMass | 242.017776 |
| CLogP | 2.7962 |
| CLogS | -2.798 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 145.79 |
| Relative PSA | 0.15845 |
| PolarSurfaceArea | 29.46 |
| Druglikeness | -24.401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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