(E)-4,4,4-trifluoro-1-iodo-3,3-bis(trifluoromethyl)but-1-ene
Formula:C6H2F9I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,4-trifluoro-1-iodo-3,3-bis(trifluoromethyl)but-1-ene is a drug-like molecule.
| MolName | (E)-4,4,4-trifluoro-1-iodo-3,3-bis(trifluoromethyl)but-1-ene |
| MolecularFormula | C6H2F9I |
| Smiles | FC(C(C(F)(F)F)(C(F)(F)F)/C=C/I)(F)F |
| InChI | InChI=1S/C6H2F9I/c7-4(8,9)3(1-2-16,5(10,11)12)6(13,14)15/h1-2H |
| InChIK | CYOXXWXEWWBMQR-UHFFFAOYSA-N |
| TotalMolweight | 371.964 |
| Molweight | 371.964 |
| MonoisotopicMass | 371.90575 |
| CLogP | 4.4442 |
| CLogS | -4.151 |
| TotalSurfaceArea | 165.07 |
| Druglikeness | -10.318 |
| 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)-4,4,4-trifluoro-1-iodo-3,3-bis(trifluoromethyl)but-1-ene | 2 - (E)-4,4,4-trifluoro-1-iodo-3,3-bis(trifluoromethyl)but-1-ene
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