2-tert-butyl-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-tert-butyl-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C8H11F3N2O MolecularWeight: 208.18095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)CC(=N1)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=O)CC(=N1)C(F)(F)F

InChI

InChI=1S/C8H11F3N2O/c1-7(2,3)13-6(14)4-5(12-13)8(9,10)11/h4H2,1-3H3