1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylic acid Openeye Name: 1-(4,4,4-trifluoro-3-oxo-but-1-enyl)piperidine-4-carboxylic acid CAS Name: 1-(4,4,4-trifluoro-3-oxobut-1-enyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4,4,4-trifluoro-3-oxobut-1-enyl)piperidine-4-carboxylic acid Traditional Name: 1-(4,4,4-trifluoro-3-keto-but-1-enyl)isonipecotic acid Formula: C10H12F3NO3 MolecularWeight: 251.20239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C=CC(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C=CC(=O)C(F)(F)F

InChI

InChI=1S/C10H12F3NO3/c11-10(12,13)8(15)3-6-14-4-1-7(2-5-14)9(16)17/h3,6-7H,1-2,4-5H2,(H,16,17)