(E)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
Formula:C4H2F5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene is a drug-like molecule.
| MolName | (E)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene |
| MolecularFormula | C4H2F5I |
| Smiles | FC(C(F)(F)F)(/C=C/I)F |
| InChI | InChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H |
| InChIK | RGMOTVZOASYAQV-UHFFFAOYSA-N |
| TotalMolweight | 271.95 |
| Molweight | 271.95 |
| MonoisotopicMass | 271.912138 |
| CLogP | 2.9461 |
| CLogS | -2.782 |
| TotalSurfaceArea | 118.85 |
| Druglikeness | -40.628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (E)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene | 2 - (E)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
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