(Z)-2-chloro-1,1,1-trifluoro-4-iodobut-2-ene
Formula:C4H3ClF3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(Z)-2-chloro-1,1,1-trifluoro-4-iodobut-2-ene is a drug-like molecule.
| MolName | (Z)-2-chloro-1,1,1-trifluoro-4-iodobut-2-ene |
| MolecularFormula | C4H3ClF3I |
| Smiles | FC(/C(/Cl)=C/CI)(F)F |
| InChI | InChI=1S/C4H3ClF3I/c5-3(1-2-9)4(6,7)8/h1H,2H2 |
| InChIK | RHUXYOMKUAHFKU-UHFFFAOYSA-N |
| TotalMolweight | 270.415 |
| Molweight | 270.415 |
| MonoisotopicMass | 269.892009 |
| CLogP | 3.1924 |
| CLogS | -2.851 |
| TotalSurfaceArea | 123.13 |
| Druglikeness | -9.0065 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| 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 |
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1 - (Z)-2-chloro-1,1,1-trifluoro-4-iodobut-2-ene | 2 - (Z)-2-chloro-1,1,1-trifluoro-4-iodobut-2-ene
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