AC1Q6BSA structure

AC1Q6BSA

3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-(pyridin-4-ylmethoxy)but-3-yn-2-yl]-1H-pyridin-2-one

Also Known As: 2(1H)-Pyridinone, 3-(3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl)-|3-((1S)-3-Cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl)hydropyridin-2-one|3-[(2s)-4-cyclopropyl-1,1,1-trifluoro-2-(pyridin-4-ylmethoxy)but-3-yn-2-yl]pyridin-2(1h)-one|2(1H)-Pyridinone, 3-[3-cyclopropyl-1-(4-pyridinylmethoxy)-1-(trifluoromethyl)-2-propynyl]-|3-[(1S)-3-cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl]-1H-pyridin-2-one|3-[(1S)-3-Cyclopropyl-1-(4-pyridylmethoxy)-1-(trifluoromethyl)prop-2-ynyl]hydropyridin-2-one|3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-(pyridin-4-ylmethoxy)but-3-yn-2-yl]-1H-pyridin-2-one|3-{(2S)-4-Cyclopropyl-1,1,1-trifluoro-2-[(pyridin-4-yl)methoxy]but-3-yn-2-yl}pyridin-2(1H)-one

CAS: 33767-87-2
Molecular Formula C18H15F3N2O2
Molecular Weight 348.10855 g/mol
LogP 2.6
Topological Polar Surface Area 51.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 348.10855
Monoisotopic Mass 348.10855
Heavy Atoms 25
Complexity 646.0

Chemical Identifiers

CAS Number 33767-87-2
SMILES C1CC1C#C[C@](C2=CC=CNC2=O)(C(F)(F)F)OCC3=CC=NC=C3
InChIKey INJQBPWBVJPBDU-KRWDZBQOSA-N

Product Overview

AC1Q6BSA (CAS 33767-87-2), with molecular formula C18H15F3N2O2 and molecular weight 348.10855 g/mol. IUPAC: 3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-(pyridin-4-ylmethoxy)but-3-yn-2-yl]-1H-pyridin-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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