3,4-difluoro-5-(trifluoromethyl)benzoic Acid
TL;DR: 3,4-difluoro-5-(trifluoromethyl)benzoic Acid (CAS 237761-76-1) is a chemical compound with molecular formula C8H3F5O2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-difluoro-5-(trifluoromethyl)benzoic acid
Also Known As: 3,4-difluoro-5-(trifluoromethyl)benzoic Acid, Intermediates-ZCF02637, 3,4-DIFLUORO-5- BENZOICACID, 2,4,6-Triphenylpyrylium tetrafluoroborate, 3,4-Difluoro-5-(trifluoromethyl)benzoicacid
| Molecular Formula | C8H3F5O2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.6818 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.00533 |
| Heavy Atoms | 15 |
| Complexity | 410.22842 |
Chemical Identifiers
| CAS Number | 237761-76-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(F)(F)F)F)F)C(=O)O |
Product Overview
3,4-difluoro-5-(trifluoromethyl)benzoic Acid (CAS 237761-76-1), with molecular formula C8H3F5O2 and molecular weight 226.01 g/mol. IUPAC: 3,4-difluoro-5-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid
Property Insights of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid
The XLogP value of 2.6818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-difluoro-5-(trifluoromethyl)benzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4-difluoro-5-(trifluoromethyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-difluoro-5-(trifluoromethyl)benzoic Acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid?
The CAS number of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid is 237761-76-1.
What is the molecular formula of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid?
The molecular formula of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid is C8H3F5O2.
What is the molecular weight of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid?
The molecular weight of 3,4-difluoro-5-(trifluoromethyl)benzoic Acid is 226.01 g/mol.
Where can I buy 3,4-difluoro-5-(trifluoromethyl)benzoic Acid?
You can request a quote for 3,4-difluoro-5-(trifluoromethyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-difluoro-5-(trifluoromethyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-difluoro-5-(trifluoromethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.