2,2,2-trifluoroethyl 2-[(3-methylpent-1-yn-3-yl)carbamoyl]cyclohexane-1-carboxylate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 2-[(3-methylpent-1-yn-3-yl)carbamoyl]cyclohexane-1-carboxylate
2,2,2-trifluoroethyl 2-[(3-methylpent-1-yn-3-yl)carbamoyl]cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | 8014-9058 |
| Compound Name: | 2,2,2-trifluoroethyl 2-[(3-methylpent-1-yn-3-yl)carbamoyl]cyclohexane-1-carboxylate |
| Molecular Weight: | 333.35 |
| Molecular Formula: | C16 H22 F3 N O3 |
| Smiles: | CCC(C)(C#C)NC(C1CCCCC1C(=O)OCC(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6562 |
| logD: | 3.6562 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.003 |
| InChI Key: | AHVXFPCEJRLQSW-UHFFFAOYSA-N |