AC1Q6BRB structure

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

CAS: 33776-71-5
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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