3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-(2,2,2-trifluoroethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Traditional Name: 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Formula: C7H7F3N2O2 MolecularWeight: 208.13789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)CC(F)(F)F

Isomeric SMILES

CC1=NN(C=C1C(=O)O)CC(F)(F)F

InChI

InChI=1S/C7H7F3N2O2/c1-4-5(6(13)14)2-12(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,13,14)