N-((S)-1-((1R,2S,5S)-2-Cyano-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide

cas: 2801608-29-5 — see every product listed under this CAS number, including other names

N-((S)-1-((1R,2S,5S)-2-Cyano-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl)-2,2,2-trifluoroacetamide (CAS 2801608-29-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

• 2D
• 3D

N-[(2S)-1-[(1R,2S,5S)-2-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide (CAS 2801608-29-5) is a chemical compound with the molecular formula C16H22F3N3O2 and a molecular weight of 345.36 g/mol. IUPAC name: N-[(2S)-1-[(1R,2S,5S)-2-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide. InChIKey: WXHDNKGMYNLTHX-ZRUFSTJUSA-N.

Identity

Molecular formula	C16H22F3N3O2
Molecular weight	345.36 g/mol
IUPAC name	N-[(2S)-1-[(1R,2S,5S)-2-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
InChIKey	WXHDNKGMYNLTHX-ZRUFSTJUSA-N
SMILES	CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C#N)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)

tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate C₁₆H₂₂F₃N₃O₂

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one C₁₆H₂₂F₃N₃O₂

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one C₁₆H₂₂F₃N₃O₂