rel-2-(1,1-Dimethylethyl) 3-ethyl (1R,3R,4R)-5,5-difluoro-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

CAS Registry Number®

1392803-20-1
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CAS Name

rel-2-(1,1-Dimethylethyl) 3-ethyl (1R,3R,4R)-5,5-difluoro-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

Molecular Formula

C15H23F2NO4

Molecular Mass

319.34

Cite this Page

rel-2-(1,1-Dimethylethyl) 3-ethyl (1R,3R,4R)-5,5-difluoro-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1392803-20-1 (retrieved 2024-08-13) (CAS RN: 1392803-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C15H23F2NO4/c1-5-21-12(19)11-10-7-6-9(8-15(10,16)17)18(11)13(20)22-14(2,3)4/h9-11H,5-8H2,1-4H3/t9-,10-,11-/s2

InChIKey

InChIKey=ITEAXDCAQXHQHV-XTUUUFNYNA-N

SMILES

C(OCC)(=O)[C@H]1N(C(OC(C)(C)C)=O)[C@@]2(CC(F)(F)[C@]1(CC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)N1C(C(=O)OCC)C2CCC1CC2(F)F

Other Names for this Substance

  • 2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5,5-difluoro-, 2-(1,1-dimethylethyl) 3-ethyl ester, (1R,3R,4R)-rel-
  • rel-2-(1,1-Dimethylethyl) 3-ethyl (1R,3R,4R)-5,5-difluoro-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate