methyl 4-cyano-2,2-bis(trifluoromethyl)butanoate

Systemtic Name: methyl 4-cyano-2,2-bis(trifluoromethyl)butanoate Openeye Name: methyl 4-cyano-2,2-bis(trifluoromethyl)butanoate CAS Name: 4-cyano-2,2-bis(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 4-cyano-2,2-bis(trifluoromethyl)butanoate Traditional Name: 4-cyano-2,2-bis(trifluoromethyl)butyric acid methyl ester Formula: C8H7F6NO2 MolecularWeight: 263.137099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#N)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C(CCC#N)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C8H7F6NO2/c1-17-5(16)6(3-2-4-15,7(9,10)11)8(12,13)14/h2-3H2,1H3