(E)-1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one
Formula:C9H12NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one |
| MolecularFormula | C9H12NOF3 |
| Smiles | O=C(C(F)(F)F)/C=C/N1CCCCC1 |
| InChI | InChI=1S/C9H12F3NO/c10-9(11,12)8(14)4-7-13-5-2-1-3-6-13/h4,7H,1-3,5-6H2 |
| InChIK | YRUDOVWQRCMGOY-UHFFFAOYSA-N |
| TotalMolweight | 207.194 |
| Molweight | 207.194 |
| MonoisotopicMass | 207.087098 |
| CLogP | 1.4974 |
| CLogS | -2.219 |
| H Acceptors | 2 |
| TotalSurfaceArea | 152.81 |
| Relative PSA | 0.10857 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -31.924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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