tert-butyl (E)-3-[(2S)-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidin-2-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[(2S)-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidin-2-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acrylic acid tert-butyl ester Formula: C13H18F3NO3 MolecularWeight: 293.28213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1CCCN1C(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/[C@@H]1CCCN1C(=O)C(F)(F)F

InChI

InChI=1S/C13H18F3NO3/c1-12(2,3)20-10(18)7-6-9-5-4-8-17(9)11(19)13(14,15)16/h6-7,9H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1