(Z)-1,1,1-trifluoro-4-hydroxy-3-(trifluoromethyl)but-3-en-2-one
Formula:C5H2O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,1,1-trifluoro-4-hydroxy-3-(trifluoromethyl)but-3-en-2-one is a drug-like molecule.
| MolName | (Z)-1,1,1-trifluoro-4-hydroxy-3-(trifluoromethyl)but-3-en-2-one |
| MolecularFormula | C5H2O2F6 |
| Smiles | O/C=C(\C(F)(F)F)/C(C(F)(F)F)=O |
| InChI | InChI=1S/C5H2F6O2/c6-4(7,8)2(1-12)3(13)5(9,10)11/h1,12H |
| InChIK | IAHLCSGMFNQPNF-UHFFFAOYSA-N |
| TotalMolweight | 208.057 |
| Molweight | 208.057 |
| MonoisotopicMass | 207.995898 |
| CLogP | 1.2349 |
| CLogS | -2.497 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 121.23 |
| Relative PSA | 0.21562 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -33.084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-1,1,1-trifluoro-4-hydroxy-3-(trifluoromethyl)but-3-en-2-one | 2 - (Z)-1,1,1-trifluoro-4-hydroxy-3-(trifluoromethyl)but-3-en-2-one
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