rel-(1R,5R)-5-((tert-Butoxycarbonyl)amino)-4,4-difluorocycloheptane-1-carboxylic acid, 98%

cas: 2580093-68-9 — see every product listed under this CAS number, including other names

rel-(1R,5R)-5-((tert-Butoxycarbonyl)amino)-4,4-difluorocycloheptane-1-carboxylic acid, 98% (CAS 2580093-68-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

Trans-(1R,5R)-4,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid (CAS 2580093-68-9) is a chemical compound with the molecular formula C13H21F2NO4 and a molecular weight of 293.31 g/mol. IUPAC name: trans-(1R,5R)-4,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid. InChIKey: OWWIJIWLMHEECC-RKDXNWHRSA-N.

Identity

Molecular formula	C13H21F2NO4
Molecular weight	293.31 g/mol
IUPAC name	trans-(1R,5R)-4,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
InChIKey	OWWIJIWLMHEECC-RKDXNWHRSA-N
SMILES	CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC1(F)F)C(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)

(2S)-2-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid C₁₃H₂₁F₂NO₄

propan-2-yl 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate C₁₃H₂₁F₂NO₄

(2R)-2-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid C₁₃H₂₁F₂NO₄

1-O-tert-butyl 3-O-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate C₁₃H₂₁F₂NO₄

1-O-tert-butyl 2-O-methyl 2-ethyl-4,4-difluoropyrrolidine-1,2-dicarboxylate C₁₃H₂₁F₂NO₄

tert-butyl 4,4-difluoro-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate C₁₃H₂₁F₂NO₄

3-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid C₁₃H₂₁F₂NO₄

2-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid C₁₃H₂₁F₂NO₄

2,2-difluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid C₁₃H₂₁F₂NO₄

1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate C₁₃H₂₁F₂NO₄

1-O-tert-butyl 3-O-ethyl 4,4-difluoropiperidine-1,3-dicarboxylate C₁₃H₂₁F₂NO₄

trans-methyl (1R,4R)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate C₁₃H₂₁F₂NO₄