1-methyl-3-[2,2,2-tris(fluoranyl)ethanoyl]azepan-2-one

Systemtic Name: 1-methyl-3-[2,2,2-tris(fluoranyl)ethanoyl]azepan-2-one Openeye Name: 1-methyl-3-(2,2,2-trifluoroacetyl)azepan-2-one CAS Name: 1-methyl-3-(2,2,2-trifluoro-1-oxoethyl)-2-azepanone IUPAC Name: 1-methyl-3-(2,2,2-trifluoroacetyl)azepan-2-one Traditional Name: 1-methyl-3-(2,2,2-trifluoroacetyl)azepan-2-one Formula: C9H12F3NO2 MolecularWeight: 223.19229

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)C(=O)C(F)(F)F

Isomeric SMILES

CN1CCCCC(C1=O)C(=O)C(F)(F)F

InChI

InChI=1S/C9H12F3NO2/c1-13-5-3-2-4-6(8(13)15)7(14)9(10,11)12/h6H,2-5H2,1H3