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

Systemtic Name: 1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,2,2-trifluoroethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid Formula: C6H5F3N2O2 MolecularWeight: 194.11131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)O)CC(F)(F)F

Isomeric SMILES

C1=CN(N=C1C(=O)O)CC(F)(F)F

InChI

InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(10-11)5(12)13/h1-2H,3H2,(H,12,13)