3,3-dimethyl-4-[4-(trifluoromethyloxy)phenyl]butan-2-one

Systemtic Name: 3,3-dimethyl-4-[4-(trifluoromethyloxy)phenyl]butan-2-one Openeye Name: 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]butan-2-one CAS Name: 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]-2-butanone IUPAC Name: 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]butan-2-one Traditional Name: 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]butan-2-one Formula: C13H15F3O2 MolecularWeight: 260.25221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)CC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

CC(=O)C(C)(C)CC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C13H15F3O2/c1-9(17)12(2,3)8-10-4-6-11(7-5-10)18-13(14,15)16/h4-7H,8H2,1-3H3