1,1,1-tris(fluoranyl)propan-2-yl 2-cyanoethanoate

Systemtic Name: 1,1,1-tris(fluoranyl)propan-2-yl 2-cyanoethanoate Openeye Name: (2,2,2-trifluoro-1-methyl-ethyl) 2-cyanoacetate CAS Name: 2-cyanoacetic acid 1,1,1-trifluoropropan-2-yl ester IUPAC Name: 1,1,1-trifluoropropan-2-yl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid (2,2,2-trifluoro-1-methyl-ethyl) ester Formula: C6H6F3NO2 MolecularWeight: 181.11255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)OC(=O)CC#N

Isomeric SMILES

CC(C(F)(F)F)OC(=O)CC#N

InChI

InChI=1S/C6H6F3NO2/c1-4(6(7,8)9)12-5(11)2-3-10/h4H,2H2,1H3