(E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-enoic acid
Formula:C6H3O3F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-enoic acid is a drug-like molecule.
| MolName | (E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-enoic acid |
| MolecularFormula | C6H3O3F7 |
| Smiles | OC(/C=C/C(C(F)(F)F)(OC(F)(F)F)F)=O |
| InChI | InChI=1S/C6H3F7O3/c7-4(5(8,9)10,2-1-3(14)15)16-6(11,12)13/h1-2H,(H,14,15)/t4-/m0/s1 |
| InChIK | RVHICSLFQMDXOH-BYPYZUCNSA-N |
| TotalMolweight | 256.073 |
| Molweight | 256.073 |
| MonoisotopicMass | 255.997041 |
| CLogP | 2.4466 |
| CLogS | -2.78 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 149.78 |
| Relative PSA | 0.24129 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -22.712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-enoic acid | 2 - (E)-4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pent-2-enoic acid
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