5-[4,4,4-tris(fluoranyl)butan-2-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[4,4,4-tris(fluoranyl)butan-2-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(3,3,3-trifluoro-1-methyl-propyl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-(4,4,4-trifluorobutan-2-yl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(4,4,4-trifluorobutan-2-yl)-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(3,3,3-trifluoro-1-methyl-propyl)-1H-pyrrole-2-carboxylic acid Formula: C9H10F3NO2 MolecularWeight: 221.17641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(F)(F)F)C1=CC=C(N1)C(=O)O

Isomeric SMILES

CC(CC(F)(F)F)C1=CC=C(N1)C(=O)O

InChI

InChI=1S/C9H10F3NO2/c1-5(4-9(10,11)12)6-2-3-7(13-6)8(14)15/h2-3,5,13H,4H2,1H3,(H,14,15)