(E)-3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethoxy)but-1-ene
Formula:C5H2OF7I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethoxy)but-1-ene is a drug-like molecule.
| MolName | (E)-3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethoxy)but-1-ene |
| MolecularFormula | C5H2OF7I |
| Smiles | FC(C(F)(F)F)(/C=C/I)OC(F)(F)F |
| InChI | InChI=1S/C5H2F7IO/c6-3(1-2-13,4(7,8)9)14-5(10,11)12/h1-2H/t3-/m0/s1 |
| InChIK | NSLKTPQPESHEBK-VKHMYHEASA-N |
| TotalMolweight | 337.956 |
| Molweight | 337.956 |
| MonoisotopicMass | 337.903859 |
| CLogP | 3.8419 |
| CLogS | -3.333 |
| H Acceptors | 1 |
| TotalSurfaceArea | 151.96 |
| Relative PSA | 0.065807 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -23.628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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