3-[9,9,9-tris(fluoranyl)-4-methyl-nonan-4-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[9,9,9-tris(fluoranyl)-4-methyl-nonan-4-yl]-1H-pyridazin-6-one Openeye Name: 3-(6,6,6-trifluoro-1-methyl-1-propyl-hexyl)-1H-pyridazin-6-one CAS Name: 3-(9,9,9-trifluoro-4-methylnonan-4-yl)-1H-pyridazin-6-one IUPAC Name: 3-(9,9,9-trifluoro-4-methylnonan-4-yl)-1H-pyridazin-6-one Traditional Name: 3-(6,6,6-trifluoro-1-methyl-1-propyl-hexyl)-1H-pyridazin-6-one Formula: C14H21F3N2O MolecularWeight: 290.32455

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCCCC(F)(F)F)C1=NNC(=O)C=C1

Isomeric SMILES

CCCC(C)(CCCCC(F)(F)F)C1=NNC(=O)C=C1

InChI

InChI=1S/C14H21F3N2O/c1-3-8-13(2,9-4-5-10-14(15,16)17)11-6-7-12(20)19-18-11/h6-7H,3-5,8-10H2,1-2H3,(H,19,20)