4-{[(2-hydroxyethyl)imino]methyl}-5-methyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(2-hydroxyethyl)imino]methyl}-5-methyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one
4-{[(2-hydroxyethyl)imino]methyl}-5-methyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-9336 |
| Compound Name: | 4-{[(2-hydroxyethyl)imino]methyl}-5-methyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 385.24 |
| Molecular Formula: | C14 H10 F7 N3 O2 |
| Smiles: | CC1=C(/C=N/CCO)C(N(c2c(c(c(c(c2F)F)C(F)(F)F)F)F)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5821 |
| logD: | -2.6693 |
| logSw: | -2.5269 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.718 |
| InChI Key: | GRWBPLUKNXSQNC-UHFFFAOYSA-N |