methyl 5-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylate Openeye Name: methyl 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2,2,2-trifluoroethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid methyl ester Formula: C8H9F3N2O2 MolecularWeight: 222.16447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1CC(F)(F)F)C(=O)OC

InChI

InChI=1S/C8H9F3N2O2/c1-5-6(7(14)15-2)3-12-13(5)4-8(9,10)11/h3H,4H2,1-2H3