(E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-enoic acid
Formula:C7H3O2F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-enoic acid is a drug-like molecule.
| MolName | (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-enoic acid |
| MolecularFormula | C7H3O2F9 |
| Smiles | OC(/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)=O |
| InChI | InChI=1S/C7H3F9O2/c8-4(6(11,12)13,2-1-3(17)18)5(9,10)7(14,15)16/h1-2H,(H,17,18)/t4-/m0/s1 |
| InChIK | AYHWXFOMIRCWPY-BYPYZUCNSA-N |
| TotalMolweight | 290.081 |
| Molweight | 290.081 |
| MonoisotopicMass | 289.998932 |
| CLogP | 2.5494 |
| CLogS | -3.531 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 162.89 |
| Relative PSA | 0.16048 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -39.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-enoic acid | 2 - (E)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-enoic acid
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