(Z)-4-bromo-2-chloro-1,1,1-trifluorobut-2-ene
Formula:C4H3BrClF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(Z)-4-bromo-2-chloro-1,1,1-trifluorobut-2-ene is a drug-like molecule.
| MolName | (Z)-4-bromo-2-chloro-1,1,1-trifluorobut-2-ene |
| MolecularFormula | C4H3BrClF3 |
| Smiles | FC(/C(/Cl)=C/CBr)(F)F |
| InChI | InChI=1S/C4H3BrClF3/c5-2-1-3(6)4(7,8)9/h1H,2H2 |
| InChIK | DXCNMVPRQXEUKO-UHFFFAOYSA-N |
| TotalMolweight | 223.419 |
| Molweight | 223.419 |
| MonoisotopicMass | 221.905872 |
| CLogP | 2.94 |
| CLogS | -3.27 |
| TotalSurfaceArea | 115.48 |
| Druglikeness | -13.503 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-bromo-2-chloro-1,1,1-trifluorobut-2-ene | 2 - (Z)-4-bromo-2-chloro-1,1,1-trifluorobut-2-ene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off