2-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-ol
Chemical Structure Depiction of
2-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-ol
2-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-ol
Compound characteristics
| Compound ID: | 8008-0722 |
| Compound Name: | 2-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-ol |
| Molecular Weight: | 364.28 |
| Molecular Formula: | C13 H15 F3 N4 O5 |
| Smiles: | C1CN(CCN1CCO)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6667 |
| logD: | 2.5809 |
| logSw: | -3.0586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.696 |
| InChI Key: | QBTMMSCUEZTXQX-UHFFFAOYSA-N |