3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione Openeye Name: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione CAS Name: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione Traditional Name: 3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]butane-1,2-dione Formula: C13H13F3O2 MolecularWeight: 258.23633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3O2/c1-12(2,3)11(18)10(17)8-4-6-9(7-5-8)13(14,15)16/h4-7H,1-3H3