N-{[2-(trifluoromethyl)phenyl]methyl}but-2-ynamide
Chemical Structure Depiction of
N-{[2-(trifluoromethyl)phenyl]methyl}but-2-ynamide
N-{[2-(trifluoromethyl)phenyl]methyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-0860 |
| Compound Name: | N-{[2-(trifluoromethyl)phenyl]methyl}but-2-ynamide |
| Molecular Weight: | 241.21 |
| Molecular Formula: | C12 H10 F3 N O |
| Smiles: | CC#CC(NCc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0944 |
| logD: | 3.0944 |
| logSw: | -3.4951 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7099 |
| InChI Key: | NKTHAUMOFIZAIE-UHFFFAOYSA-N |