(E)-1-bromo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-ene
Formula:C6H2BrF9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-bromo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-ene is a drug-like molecule.
| MolName | (E)-1-bromo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-ene |
| MolecularFormula | C6H2BrF9 |
| Smiles | FC(C(C(F)(F)F)(C(F)(F)F)/C=C/Br)(F)F |
| InChI | InChI=1S/C6H2BrF9/c7-2-1-3(4(8,9)10,5(11,12)13)6(14,15)16/h1-2H |
| InChIK | DSSNVMZDEOYQBQ-UHFFFAOYSA-N |
| TotalMolweight | 324.968 |
| Molweight | 324.968 |
| MonoisotopicMass | 323.919613 |
| CLogP | 4.1918 |
| CLogS | -4.57 |
| TotalSurfaceArea | 157.42 |
| Druglikeness | -13.118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.375 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - (E)-1-bromo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-ene | 2 - (E)-1-bromo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)but-1-ene
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