Synonyms
4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione; CTK0E6103; 1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-; DTXSID50578163; AK126439; DS-5223; SCHEMBL1924223; MFCD03420671; 1-(2-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione; ZINC100072621;
IUPAC Name
4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione;
Molecular Weight
230.186g/mol
Molecular Formula
C11H9F3O2;
Canonical SMILES
CC1=CC=CC=C1C(=O)CC(=O)C(F)(F)F;
InChI
InChI=1S/C11H9F3O2/c1-7-4-2-3-5-8(7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3;
InChI Key
NSWJGKUEKYWEEF-UHFFFAOYSA-N;
Complexity
283
Covalently-Bonded Unit Count
1
Exact Mass
230.055g/mol
H-Bond Acceptor
5
Heavy Atom Count
16
Monoisotopic Mass
230.055g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
34.1A^2
