2-(octane-1-sulfonyl)-4-(2,2,2-trifluoroethoxy)benzonitrile
Chemical Structure Depiction of
2-(octane-1-sulfonyl)-4-(2,2,2-trifluoroethoxy)benzonitrile
2-(octane-1-sulfonyl)-4-(2,2,2-trifluoroethoxy)benzonitrile
Compound characteristics
| Compound ID: | 8015-8646 |
| Compound Name: | 2-(octane-1-sulfonyl)-4-(2,2,2-trifluoroethoxy)benzonitrile |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C17 H22 F3 N O3 S |
| Smiles: | CCCCCCCCS(c1cc(ccc1C#N)OCC(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5143 |
| logD: | 5.5143 |
| logSw: | -5.3937 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.83 |
| InChI Key: | AIRCDHBTRYPOND-UHFFFAOYSA-N |