(Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pent-2-en-1-ol
Formula:C6H4O2F7I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pent-2-en-1-ol is a drug-like molecule.
| MolName | (Z)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pent-2-en-1-ol |
| MolecularFormula | C6H4O2F7I |
| Smiles | OC/C(/I)=C/C(C(F)(F)F)(OC(F)(F)F)F |
| InChI | InChI=1S/C6H4F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h1,15H,2H2/t4-/m0/s1 |
| InChIK | FXPCHKRRLLUOSG-BYPYZUCNSA-N |
| TotalMolweight | 367.982 |
| Molweight | 367.982 |
| MonoisotopicMass | 367.914424 |
| CLogP | 3.6412 |
| CLogS | -3.212 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 170.28 |
| Relative PSA | 0.13566 |
| PolarSurfaceArea | 29.46 |
| Druglikeness | -23.263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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