4,4,4-tris(fluoranyl)-3-(2-methyl-1,2,4-triazol-3-yl)-3-oxidanyl-1-phenyl-butan-1-one

Systemtic Name: 4,4,4-tris(fluoranyl)-3-(2-methyl-1,2,4-triazol-3-yl)-3-oxidanyl-1-phenyl-butan-1-one Openeye Name: 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenyl-butan-1-one CAS Name: 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenyl-1-butanone IUPAC Name: 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylbutan-1-one Traditional Name: 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenyl-butan-1-one Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C(CC(=O)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CN1C(=NC=N1)C(CC(=O)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C13H12F3N3O2/c1-19-11(17-8-18-19)12(21,13(14,15)16)7-10(20)9-5-3-2-4-6-9/h2-6,8,21H,7H2,1H3