4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
Chemical Structure Depiction of
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
Compound characteristics
| Compound ID: | Y503-3081 |
| Compound Name: | 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate |
| Molecular Weight: | 252.19 |
| Molecular Formula: | C10 H11 F2 N2 O2 |
| Salt: | Na+ |
| Smiles: | CCn1c(C)c(cn1)C(\C=C(/C(F)F)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7983 |
| logD: | 0.7983 |
| logSw: | -1.1673 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.972 |
| InChI Key: | XOJHSUVZQYTFPW-UHFFFAOYSA-M |