3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-one Openeye Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-one CAS Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-one Traditional Name: 3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-one Formula: C12H13F3O MolecularWeight: 230.22623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O/c1-8(2)7-11(16)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,7H2,1-2H3