3-[2,2,2-tris(fluoranyl)ethanoyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-[2,2,2-tris(fluoranyl)ethanoyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-(2,2,2-trifluoroacetyl)-1,4-dihydropyrazol-5-one CAS Name: 3-(2,2,2-trifluoro-1-oxoethyl)-1,4-dihydropyrazol-5-one IUPAC Name: 3-(2,2,2-trifluoroacetyl)-1,4-dihydropyrazol-5-one Traditional Name: 5-(2,2,2-trifluoroacetyl)-2-pyrazolin-3-one Formula: C5H3F3N2O2 MolecularWeight: 180.08473

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)C(=O)C(F)(F)F

Isomeric SMILES

C1C(=NNC1=O)C(=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O2/c6-5(7,8)4(12)2-1-3(11)10-9-2/h1H2,(H,10,11)