(E)-5,5,5-tris(fluoranyl)-1-(1-methylpyrazol-3-yl)pent-2-en-1-one

Systemtic Name: (E)-5,5,5-tris(fluoranyl)-1-(1-methylpyrazol-3-yl)pent-2-en-1-one Openeye Name: (E)-5,5,5-trifluoro-1-(1-methylpyrazol-3-yl)pent-2-en-1-one CAS Name: (E)-5,5,5-trifluoro-1-(1-methyl-3-pyrazolyl)-2-penten-1-one IUPAC Name: (E)-5,5,5-trifluoro-1-(1-methylpyrazol-3-yl)pent-2-en-1-one Traditional Name: (E)-5,5,5-trifluoro-1-(1-methylpyrazol-3-yl)pent-2-en-1-one Formula: C9H9F3N2O MolecularWeight: 218.17577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CCC(F)(F)F

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/CC(F)(F)F

InChI

InChI=1S/C9H9F3N2O/c1-14-6-4-7(13-14)8(15)3-2-5-9(10,11)12/h2-4,6H,5H2,1H3/b3-2+