(E)-4,4,4-trifluorobut-2-en-1-ol
Formula:C4H5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,4-trifluorobut-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4,4,4-trifluorobut-2-en-1-ol |
| MolecularFormula | C4H5OF3 |
| Smiles | OC/C=C/C(F)(F)F |
| InChI | InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2 |
| InChIK | UUTWQLLIVDODPQ-UHFFFAOYSA-N |
| TotalMolweight | 126.077 |
| Molweight | 126.077 |
| MonoisotopicMass | 126.029249 |
| CLogP | 1.1914 |
| CLogS | -1.529 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 89.57 |
| Relative PSA | 0.14625 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -8.9637 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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