(E)-4,4,5,5,5-pentafluoro-1-piperidin-1-ylpent-1-en-3-one
Formula:C10H12NOF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,5,5,5-pentafluoro-1-piperidin-1-ylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-4,4,5,5,5-pentafluoro-1-piperidin-1-ylpent-1-en-3-one |
| MolecularFormula | C10H12NOF5 |
| Smiles | O=C(C(C(F)(F)F)(F)F)/C=C/N1CCCCC1 |
| InChI | InChI=1S/C10H12F5NO/c11-9(12,10(13,14)15)8(17)4-7-16-5-2-1-3-6-16/h4,7H,1-3,5-6H2 |
| InChIK | ISKMEVRBDHPETN-UHFFFAOYSA-N |
| TotalMolweight | 257.201 |
| Molweight | 257.201 |
| MonoisotopicMass | 257.083904 |
| CLogP | 2.2064 |
| CLogS | -2.937 |
| H Acceptors | 2 |
| TotalSurfaceArea | 175.92 |
| Relative PSA | 0.094304 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -64.163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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