5-methyl-2-phenyl-4-[3,3,3-tris(fluoranyl)propanoyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[3,3,3-tris(fluoranyl)propanoyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-(3,3,3-trifluoropropanoyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-(3,3,3-trifluoro-1-oxopropyl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-(3,3,3-trifluoropropanoyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(3,3,3-trifluoropropanoyl)-3-pyrazolin-3-one Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CC(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CC(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c1-8-11(10(19)7-13(14,15)16)12(20)18(17-8)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3