4-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid

Systemtic Name: 4-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 4-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 4-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 4-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C10H8F3NO3 MolecularWeight: 247.17063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CC(F)(F)F

InChI

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