Synonyms
4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione; 1-(3-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione; Moxifloxacin Impurity 14; AK126722; 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione; NE49450; 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione; EN300-76380; 53764-99-1;
IUPAC Name
4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione;
Molecular Weight
230.186g/mol
Molecular Formula
C11H9F3O2;
Canonical SMILES
CC1=CC=CC(=C1)C(=O)CC(=O)C(F)(F)F;
InChI
InChI=1S/C11H9F3O2/c1-7-3-2-4-8(5-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3;
InChI Key
VOFWLZQTWRLBTR-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
