2-Fluoro-5-(trifluoromethyl)benzoate
TL;DR: 2-Fluoro-5-(trifluoromethyl)benzoate (CAS 115029-23-7) is a chemical compound with molecular formula C8H3F4O2- and molecular weight 207.00691 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-5-(trifluoromethyl)benzoate
Also Known As: 2-fluoro-5-(trifluoromethyl)benzoate, 2-fluoro-5-trifluoromethylbenzoic acid
Technical Specifications
| Molecular Formula | C8H3F4O2- |
| Molecular Weight | 207.00691 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.00691 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)[O-])F |
| InChIKey | LIFKXWNFWIUMJT-UHFFFAOYSA-M |
Chemical Property Profile of 2-Fluoro-5-(trifluoromethyl)benzoate
Property Insights of 2-Fluoro-5-(trifluoromethyl)benzoate
The XLogP value of 3.1 indicates that 2-Fluoro-5-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 2-Fluoro-5-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-(trifluoromethyl)benzoate 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 2-Fluoro-5-(trifluoromethyl)benzoate?
The CAS number of 2-Fluoro-5-(trifluoromethyl)benzoate is 115029-23-7.
What is the molecular formula of 2-Fluoro-5-(trifluoromethyl)benzoate?
The molecular formula of 2-Fluoro-5-(trifluoromethyl)benzoate is C8H3F4O2-.
What is the molecular weight of 2-Fluoro-5-(trifluoromethyl)benzoate?
The molecular weight of 2-Fluoro-5-(trifluoromethyl)benzoate is 207.00691 g/mol.
Where can I buy 2-Fluoro-5-(trifluoromethyl)benzoate?
You can request a quote for 2-Fluoro-5-(trifluoromethyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-5-(trifluoromethyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-5-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.