(E)-1,1,1,4,4,4-hexafluorobut-2-ene
Formula:C4H2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1,4,4,4-hexafluorobut-2-ene is a drug-like molecule.
| MolName | (E)-1,1,1,4,4,4-hexafluorobut-2-ene |
| MolecularFormula | C4H2F6 |
| Smiles | FC(/C=C/C(F)(F)F)(F)F |
| InChI | InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H |
| InChIK | NLOLSXYRJFEOTA-UHFFFAOYSA-N |
| TotalMolweight | 164.048 |
| Molweight | 164.048 |
| MonoisotopicMass | 164.006068 |
| CLogP | 2.6024 |
| CLogS | -2.776 |
| TotalSurfaceArea | 98.92 |
| Druglikeness | -8.9124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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