Thenoyltrifluoroacetone
TL;DR: Thenoyltrifluoroacetone (CAS 326-91-0) is a chemical compound with molecular formula C8H5F3O2S and molecular weight 221.99623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
Also Known As: 2-Thenoyltrifluoroacetone, THENOYLTRIFLUOROACETONE, ttfa, TTFA cpd, alpha-Thenoyltrifluoroacetone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5F3O2S |
| Molecular Weight | 221.99623 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.99623 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| Melting Point | 42 |
| Boiling Point | 96-98 °C at 8.00E+00 mm Hg |
| Vapor Pressure | 0.0069 [mmHg] |
| SMILES | C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F |
| InChIKey | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
Product Description
Applications: Thenoyltrifluoroacetone is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thenoyltrifluoroacetone (CAS 326-91-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Thenoyltrifluoroacetone is a pharmaceutical intermediate identified by CAS number 326-91-0 and the molecular formula C8H5F3O2S and a molecular weight of 222 g/mol. It is also known as 2-Thenoyltrifluoroacetone and THENOYLTRIFLUOROACETONE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thenoyltrifluoroacetone
Property Insights of Thenoyltrifluoroacetone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thenoyltrifluoroacetone. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thenoyltrifluoroacetone. Following Lipinski's Rule of Five, Thenoyltrifluoroacetone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thenoyltrifluoroacetone?
The CAS number of Thenoyltrifluoroacetone is 326-91-0.
What is the molecular formula of Thenoyltrifluoroacetone?
The molecular formula of Thenoyltrifluoroacetone is C8H5F3O2S.
What is the molecular weight of Thenoyltrifluoroacetone?
The molecular weight of Thenoyltrifluoroacetone is 221.99623 g/mol.
What are the applications of Thenoyltrifluoroacetone?
Thenoyltrifluoroacetone is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thenoyltrifluoroacetone (CAS 326-91-0) with custom...
Where can I buy Thenoyltrifluoroacetone?
You can request a quote for Thenoyltrifluoroacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thenoyltrifluoroacetone?
Yes, CoreyChem provides custom synthesis services for Thenoyltrifluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.