4-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid CAS Name: 4-[[(2,2,2-trifluoro-1-oxoethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid Formula: C10H8F3NO3 MolecularWeight: 247.17063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-5-6-1-3-7(4-2-6)8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)