4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione
4,4,4-trifluoro-1-thiophen-3-ylbutane-1,3-dione
Also Known As: 4,4,4-Trifluoro-1-(3-thienyl)-1,3-butanedione|THENOYLTRIFLUOROACETONE|4,4,4-TRIFLUORO-1-THIOPHEN-3-YL-BUTANE-1,3-DIONE|4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione|4,4,4-trifluoro-1-thiophen-3-ylbutane-1,3-dione|1-(3-Thenoyl)-3,3,3-trifluoroacetone|1, 4,4,4-trifluoro-1-(3-thienyl)-|4,4,4-trifluoro-1-(3-thienyl)butane-1,3-dione|1,3-Butanedione, 4,4,4-trifluoro-1-(3-thienyl)-|4,4,4-Trifluoro-1-(3-thienyl)-1,3-butanedione #
| Molecular Formula | C8H5F3O2S |
|---|---|
| Molecular Weight | 221.99623 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.99623 |
| Monoisotopic Mass | 221.99623 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 77611-51-9 |
|---|---|
| SMILES | C1=CSC=C1C(=O)CC(=O)C(F)(F)F |
| InChIKey | FATXXSNVTXITLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione (CAS 77611-51-9), with molecular formula C8H5F3O2S and molecular weight 221.99623 g/mol. IUPAC: 4,4,4-trifluoro-1-thiophen-3-ylbutane-1,3-dione.