3-Fluoro-4-(trifluoromethoxy)benzoic acid
TL;DR: 3-Fluoro-4-(trifluoromethoxy)benzoic acid (CAS 1092460-83-7) is a chemical compound with molecular formula C8H4F4O3 and molecular weight 224.00966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-fluoro-4-(trifluoromethoxy)benzoic acid
Also Known As: 3-Fluoro-4-(trifluoromethoxy)benzoic acid, 3-Fluoro-4- benzoicacid, 3-(4-fluorophenyl)pyrrolidine, 3-Fluoro-4-trifluoromethoxy-benzoic acid, 3-Fluoro-4-(trifluoromethoxy)benzoicacid
Technical Specifications
| Molecular Formula | C8H4F4O3 |
| Molecular Weight | 224.00966 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.00966 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)OC(F)(F)F |
| InChIKey | PIBFTHWKVKHHMA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Fluoro-4-(trifluoromethoxy)benzoic acid
Property Insights of 3-Fluoro-4-(trifluoromethoxy)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-(trifluoromethoxy)benzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Fluoro-4-(trifluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-(trifluoromethoxy)benzoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Fluoro-4-(trifluoromethoxy)benzoic acid?
The CAS number of 3-Fluoro-4-(trifluoromethoxy)benzoic acid is 1092460-83-7.
What is the molecular formula of 3-Fluoro-4-(trifluoromethoxy)benzoic acid?
The molecular formula of 3-Fluoro-4-(trifluoromethoxy)benzoic acid is C8H4F4O3.
What is the molecular weight of 3-Fluoro-4-(trifluoromethoxy)benzoic acid?
The molecular weight of 3-Fluoro-4-(trifluoromethoxy)benzoic acid is 224.00966 g/mol.
Where can I buy 3-Fluoro-4-(trifluoromethoxy)benzoic acid?
You can request a quote for 3-Fluoro-4-(trifluoromethoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoro-4-(trifluoromethoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Fluoro-4-(trifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.