3-[1,1-bis(fluoranyl)ethyl]-1-fluoranyl-3H-pyrazole-2-carboxylic acid

Systemtic Name: 3-[1,1-bis(fluoranyl)ethyl]-1-fluoranyl-3H-pyrazole-2-carboxylic acid Openeye Name: 3-(1,1-difluoroethyl)-1-fluoro-3H-pyrazole-2-carboxylic acid CAS Name: 3-(1,1-difluoroethyl)-1-fluoro-3H-pyrazole-2-carboxylic acid IUPAC Name: 3-(1,1-difluoroethyl)-1-fluoro-3H-pyrazole-2-carboxylic acid Traditional Name: 5-(1,1-difluoroethyl)-2-fluoro-3-pyrazoline-1-carboxylic acid Formula: C6H7F3N2O2 MolecularWeight: 196.12719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=CN(N1C(=O)O)F)(F)F

Isomeric SMILES

CC(C1C=CN(N1C(=O)O)F)(F)F

InChI

InChI=1S/C6H7F3N2O2/c1-6(7,8)4-2-3-10(9)11(4)5(12)13/h2-4H,1H3,(H,12,13)