2-(2,2,3,4,4,4-hexafluorobutoxymethyl)oxirane
Formula:C7H8O2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,2,3,4,4,4-hexafluorobutoxymethyl)oxirane is a drug-like molecule.
| MolName | 2-(2,2,3,4,4,4-hexafluorobutoxymethyl)oxirane |
| MolecularFormula | C7H8O2F6 |
| Smiles | FC(C(COCC1OC1)(F)F)C(F)(F)F |
| InChI | InChI=1S/C7H8F6O2/c8-5(7(11,12)13)6(9,10)3-14-1-4-2-15-4/h4-5H,1-3H2 |
| InChIK | OHNPHEFKAOEHSF-UHFFFAOYSA-N |
| TotalMolweight | 238.127 |
| Molweight | 238.127 |
| MonoisotopicMass | 238.042848 |
| CLogP | 1.4212 |
| CLogS | -2.661 |
| H Acceptors | 2 |
| TotalSurfaceArea | 152.85 |
| Relative PSA | 0.1809 |
| PolarSurfaceArea | 21.76 |
| Druglikeness | -27.431 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(2,2,3,4,4,4-hexafluorobutoxymethyl)oxirane | 2 - 2-(2,2,3,4,4,4-hexafluorobutoxymethyl)oxirane
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off