2,2,3-trifluorooxirane
Formula:C2HOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,2,3-trifluorooxirane is a drug-like molecule.
| MolName | 2,2,3-trifluorooxirane |
| MolecularFormula | C2HOF3 |
| Smiles | FC1OC1(F)F |
| InChI | InChI=1S/C2HF3O/c3-1-2(4,5)6-1/h1H/t1-/m0/s1 |
| InChIK | AJCMVKBTUWFCKH-SFOWXEAESA-N |
| TotalMolweight | 98.0229 |
| Molweight | 98.0229 |
| MonoisotopicMass | 97.997949 |
| CLogP | 1.5695 |
| CLogS | -1.512 |
| H Acceptors | 1 |
| TotalSurfaceArea | 59.61 |
| Relative PSA | 0.29609 |
| PolarSurfaceArea | 12.53 |
| Druglikeness | -13.433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon | racemate |
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1 - 2,2,3-trifluorooxirane | 2 - 2,2,3-trifluorooxirane
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