![2-[3-(Trifluoromethyl)phenoxy]benzoic acid structure](/static/products/7680/76808-18-9.webp)
2-[3-(Trifluoromethyl)phenoxy]benzoic acid
TL;DR: 2-[3-(Trifluoromethyl)phenoxy]benzoic acid (CAS 76808-18-9) is a chemical compound with molecular formula C14H9F3O3 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenoxy]benzoic acid
Also Known As: 2-[3-(trifluoromethyl)phenoxy]benzoic acid, 2-(3-(Trifluoromethyl)phenoxy)benzoic acid, 2-(3-Trifluoromethylphenoxy)benzoic acid, 2-(3-Trifluoromethyl-phenoxy)benzoic acid, 2-(3-(Trifluoromethyl)phenoxy)benzoicacid
| Molecular Formula | C14H9F3O3 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.05038 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 76808-18-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | XIFJQCRCHLSUSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[3-(Trifluoromethyl)phenoxy]benzoic acid (CAS 76808-18-9), with molecular formula C14H9F3O3 and molecular weight 282.05 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenoxy]benzoic acid.
Chemical Property Profile of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid
Property Insights of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid
The XLogP value of 4.0 indicates that 2-[3-(Trifluoromethyl)phenoxy]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-[3-(Trifluoromethyl)phenoxy]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Trifluoromethyl)phenoxy]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
Frequently Asked Questions
What is the CAS number of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid?
The CAS number of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid is 76808-18-9.
What is the molecular formula of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid?
The molecular formula of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid is C14H9F3O3.
What is the molecular weight of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid?
The molecular weight of 2-[3-(Trifluoromethyl)phenoxy]benzoic acid is 282.05 g/mol.
Where can I buy 2-[3-(Trifluoromethyl)phenoxy]benzoic acid?
You can request a quote for 2-[3-(Trifluoromethyl)phenoxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Trifluoromethyl)phenoxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Trifluoromethyl)phenoxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.