(E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
Formula:C7H5OF9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol |
| MolecularFormula | C7H5OF9 |
| Smiles | OC/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F |
| InChI | InChI=1S/C7H5F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h1-2,17H,3H2/t4-/m0/s1 |
| InChIK | ICPWRRKQWSNHQB-BYPYZUCNSA-N |
| TotalMolweight | 276.098 |
| Molweight | 276.098 |
| MonoisotopicMass | 276.019667 |
| CLogP | 2.899 |
| CLogS | -3.549 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 158.9 |
| Relative PSA | 0.082442 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -41.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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1 - (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol | 2 - (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-en-1-ol
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