(E)-1-bromo-3,3,3-trifluoroprop-1-ene
Formula:C3H2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-bromo-3,3,3-trifluoroprop-1-ene is a drug-like molecule.
| MolName | (E)-1-bromo-3,3,3-trifluoroprop-1-ene |
| MolecularFormula | C3H2BrF3 |
| Smiles | FC(/C=C/Br)(F)F |
| InChI | InChI=1S/C3H2BrF3/c4-2-1-3(5,6)7/h1-2H |
| InChIK | XRZHWZVROHBBAM-UHFFFAOYSA-N |
| TotalMolweight | 174.947 |
| Molweight | 174.947 |
| MonoisotopicMass | 173.929195 |
| CLogP | 1.9847 |
| CLogS | -2.483 |
| TotalSurfaceArea | 88.09 |
| Druglikeness | -10.8 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 7 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-1-bromo-3,3,3-trifluoroprop-1-ene | 2 - (E)-1-bromo-3,3,3-trifluoroprop-1-ene
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