2-[4-(butylamino)-3,5-dinitrophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Chemical Structure Depiction of
2-[4-(butylamino)-3,5-dinitrophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
2-[4-(butylamino)-3,5-dinitrophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Compound characteristics
| Compound ID: | 8013-2298 |
| Compound Name: | 2-[4-(butylamino)-3,5-dinitrophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
| Molecular Weight: | 405.25 |
| Molecular Formula: | C13 H13 F6 N3 O5 |
| Smiles: | CCCCNc1c(cc(cc1[N+]([O-])=O)C(C(F)(F)F)(C(F)(F)F)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0271 |
| logD: | 3.9582 |
| logSw: | -4.0549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.42 |
| InChI Key: | MBGXPCFXUOMGHV-UHFFFAOYSA-N |