4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione
4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
Also Known As: 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione|4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione|1-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione|Celecoxib Impurity I|Celecoxib Impurity 49|l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione|TOS-BB-0661|4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione|KS-00000JNM|AMY6849|3-METHYLBUT-2-ENYLFORMATE|4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione|4,4,4-trifluoro-1-p-tolylbutane-1,3-dione|1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-|EC 615-712-2|l- -4,4,4-trifluorobutane-1,3-dione|3-(4-methylbenzoyl)-1,1,1-trifluoroacetone|1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-|4,4,4-trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione
| Molecular Formula | C11H9F3O2 |
|---|---|
| Molecular Weight | 230.05547 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.05547 |
| Monoisotopic Mass | 230.05547 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 720-94-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| InChIKey | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione (CAS 720-94-5), with molecular formula C11H9F3O2 and molecular weight 230.05547 g/mol. IUPAC: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione.