3-Fluoro-4-(trifluoromethyl)benzoic acid
TL;DR: 3-Fluoro-4-(trifluoromethyl)benzoic acid (CAS 115754-21-7) is a chemical compound with molecular formula C8H4F4O2 and molecular weight 208.01474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-fluoro-4-(trifluoromethyl)benzoic acid
Also Known As: 3-Fluoro-4-(trifluoromethyl)benzoic acid, Benzoic acid, 3-fluoro-4-(trifluoromethyl)-, 2-(cyclopenten-1-yl)furan, 3-fluoro-4-trifluoromethylbenzoic acid, 3-Fluoro-4-(trifluoromethyl)benzoic aicd
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.01474 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01474 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F |
| InChIKey | HRIHSNPFVGMAKX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Fluoro-4-(trifluoromethyl)benzoic acid
Property Insights of 3-Fluoro-4-(trifluoromethyl)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-(trifluoromethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluoro-4-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-(trifluoromethyl)benzoic acid has 1 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 3-Fluoro-4-(trifluoromethyl)benzoic acid?
The CAS number of 3-Fluoro-4-(trifluoromethyl)benzoic acid is 115754-21-7.
What is the molecular formula of 3-Fluoro-4-(trifluoromethyl)benzoic acid?
The molecular formula of 3-Fluoro-4-(trifluoromethyl)benzoic acid is C8H4F4O2.
What is the molecular weight of 3-Fluoro-4-(trifluoromethyl)benzoic acid?
The molecular weight of 3-Fluoro-4-(trifluoromethyl)benzoic acid is 208.01474 g/mol.
Where can I buy 3-Fluoro-4-(trifluoromethyl)benzoic acid?
You can request a quote for 3-Fluoro-4-(trifluoromethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoro-4-(trifluoromethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Fluoro-4-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.