N-{[4-(trifluoromethoxy)phenyl]methyl}but-2-ynamide
Chemical Structure Depiction of
N-{[4-(trifluoromethoxy)phenyl]methyl}but-2-ynamide
N-{[4-(trifluoromethoxy)phenyl]methyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-0895 |
| Compound Name: | N-{[4-(trifluoromethoxy)phenyl]methyl}but-2-ynamide |
| Molecular Weight: | 257.21 |
| Molecular Formula: | C12 H10 F3 N O2 |
| Smiles: | CC#CC(NCc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2353 |
| logD: | 3.2353 |
| logSw: | -3.4295 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6466 |
| InChI Key: | QVHBSGSVBUNZMR-UHFFFAOYSA-N |