AC1Q6BRB
3-[(2S)-2-[(2-chloro-6-fluorophenyl)methoxy]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 3-(1-((2-chloro-6-fluorophenyl)methoxy)-3-cyclopropyl-1-(trifluoromethyl)-2-propynyl)-5-ethyl-6-methyl-|3-((1S)-1-((2-Chloro-6-fluorophenyl)methoxy)-3-cyclopropyl-1-(trifluoromethyl)prop-2-ynyl)-5-ethyl-6-methylhydropyridin-2-one|3-{(2s)-2-[(2-chloro-6-fluorobenzyl)oxy]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl}-5-ethyl-6-methylpyridin-2(1h)-one|[1-(2,2,2-trifluoro-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester|3-[(2S)-2-[(2-chloro-6-fluorophenyl)methoxy]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one|2(1H)-Pyridinone, 3-[1-[(2-chloro-6-fluorophenyl)methoxy]-3-cyclopropyl-1-(trifluoromethyl)-2-propynyl]-5-ethyl-6-methyl-|3-[(1S)-1-[(2-chloro-6-fluoro-phenyl)methoxy]-3-cyclopropyl-1-(trifluoromethyl)prop-2-ynyl]-5-ethyl-6-methyl-1H-pyridin-2-one|3-{(1S)-1-[(2-Chloro-6-fluorophenyl)methoxy]-3-cyclopropyl-1-(trifluoromethyl)prop-2-ynyl}-5-ethyl-6-methylhydropyridin-2-one|3-{(2S)-2-[(2-Chloro-6-fluorophenyl)methoxy]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl}-5-ethyl-6-methylpyridin-2(1H)-one
| Molecular Formula | C22H20ClF4NO2 |
|---|---|
| Molecular Weight | 441.11188 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11188 |
| Monoisotopic Mass | 441.11188 |
| Heavy Atoms | 30 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 33776-71-5 |
|---|---|
| SMILES | CCC1=C(NC(=O)C(=C1)[C@@](C#CC2CC2)(C(F)(F)F)OCC3=C(C=CC=C3Cl)F)C |
| InChIKey | WRVPEPXWRIRSAM-NRFANRHFSA-N |
Product Overview
AC1Q6BRB (CAS 33776-71-5), with molecular formula C22H20ClF4NO2 and molecular weight 441.11188 g/mol. IUPAC: 3-[(2S)-2-[(2-chloro-6-fluorophenyl)methoxy]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one.
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