6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one

Base Information

• Chemical Name: 6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
• CAS No.: 847235-85-2
• Molecular Formula: C17H16F6N2O2
• Molecular Weight: 394.31200
• UNII: 27H8PR7JGK
• ChEMBL ID: CHEMBL467888
• Metabolomics Workbench ID: 149422
• Wikidata: Q27095576

Synonyms:6-(2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-4-trifluoromethylquinolin-2(1H)-one;LGD 2941;LGD-2941;LGD2941

Chemical Property of 6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one

Chemical Property:

• PSA: 56.33000
• LogP: 3.89240
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 394.11159673
• Heavy Atom Count: 27
• Complexity: 618

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(N1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)C(C(F)(F)F)O
• Isomeric SMILES: C[C@@H]1CC[C@@H](N1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)[C@H](C(F)(F)F)O

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