(3E)-6,6,6-trifluoro-5,5-bis(trifluoromethyl)hexa-1,3-diene
Formula:C8H5F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-6,6,6-trifluoro-5,5-bis(trifluoromethyl)hexa-1,3-diene is a drug-like molecule.
| MolName | (3E)-6,6,6-trifluoro-5,5-bis(trifluoromethyl)hexa-1,3-diene |
| MolecularFormula | C8H5F9 |
| Smiles | C=C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C8H5F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h2-4H,1H2 |
| InChIK | NRFBLIGDSNBZBX-UHFFFAOYSA-N |
| TotalMolweight | 272.11 |
| Molweight | 272.11 |
| MonoisotopicMass | 272.024752 |
| CLogP | 4.5941 |
| CLogS | -4.332 |
| TotalSurfaceArea | 163.33 |
| Druglikeness | -15.286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| StereoCon |
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