(E)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
Formula:C5F9I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene is a drug-like molecule.
| MolName | (E)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene |
| MolecularFormula | C5F9I |
| Smiles | FC(C(F)(F)F)(C(F)(F)F)/C(/F)=C(/F)\I |
| InChI | InChI=1S/C5F9I/c6-1(2(7)15)3(8,4(9,10)11)5(12,13)14 |
| InChIK | KVLZYXPNBHIUMY-UHFFFAOYSA-N |
| TotalMolweight | 357.937 |
| Molweight | 357.937 |
| MonoisotopicMass | 357.8901 |
| CLogP | 4.4138 |
| CLogS | -4.588 |
| TotalSurfaceArea | 151.08 |
| Druglikeness | -22.3 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene | 2 - (E)-1,2,3,4,4,4-hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
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