2-Fluoro-6-(trifluoromethyl)benzoyl chloride
TL;DR: 2-Fluoro-6-(trifluoromethyl)benzoyl chloride (CAS 109227-12-5) is a chemical compound with molecular formula C8H3ClF4O and molecular weight 225.98085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-6-(trifluoromethyl)benzoyl chloride
Also Known As: 2-Fluoro-6-(trifluoromethyl)benzoyl chloride, OTF-BOC-6F, 2-fluoro-6-(trifluoromethyl)benzoylchloride, ATTERCOP-CHM AT107063, 2-fluoro-6-trifluoromethylbenzoyl chloride
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H3ClF4O |
| Molecular Weight | 225.98085 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.98085 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)Cl)C(F)(F)F |
| InChIKey | ZDRYDSJMVRRAAF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride
Property Insights of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride
The XLogP value of 3.4 indicates that 2-Fluoro-6-(trifluoromethyl)benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Fluoro-6-(trifluoromethyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-(trifluoromethyl)benzoyl chloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride?
The CAS number of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride is 109227-12-5.
What is the molecular formula of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride?
The molecular formula of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride is C8H3ClF4O.
What is the molecular weight of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride?
The molecular weight of 2-Fluoro-6-(trifluoromethyl)benzoyl chloride is 225.98085 g/mol.
Where can I buy 2-Fluoro-6-(trifluoromethyl)benzoyl chloride?
You can request a quote for 2-Fluoro-6-(trifluoromethyl)benzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-6-(trifluoromethyl)benzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-6-(trifluoromethyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.