1,1,1-trifluoro-4-hydroxy-4-(3-nitrophenyl)but-3-en-2-one
Chemical Structure Depiction of
1,1,1-trifluoro-4-hydroxy-4-(3-nitrophenyl)but-3-en-2-one
1,1,1-trifluoro-4-hydroxy-4-(3-nitrophenyl)but-3-en-2-one
Compound characteristics
| Compound ID: | 8014-0629 |
| Compound Name: | 1,1,1-trifluoro-4-hydroxy-4-(3-nitrophenyl)but-3-en-2-one |
| Molecular Weight: | 261.15 |
| Molecular Formula: | C10 H6 F3 N O4 |
| Smiles: | C(=C(/c1cccc(c1)[N+]([O-])=O)O)\C(C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2448 |
| logD: | 2.1656 |
| logSw: | -2.3563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.428 |
| InChI Key: | TUTHFBIQSNYVQU-UHFFFAOYSA-N |