![4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid structure](/static/products/4384/438473-98-4.webp)
4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
TL;DR: 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid (CAS 438473-98-4) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trifluoroethoxymethyl)benzoic acid
Also Known As: 4-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, 4-(2,2,2-trifluoroethoxymethyl)benzoic acid, 4-((2,2,2-Trifluoroethoxy)methyl)benzoic acid, 4-[(2,2,2-trifluoroethoxy)methyl]benzoicacid, Benzoic acid, 4-[(2,2,2-trifluoroethoxy)methyl]-
| Molecular Formula | C10H9F3O3 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.4637 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05038 |
| Heavy Atoms | 16 |
| Complexity | 356.56717 |
Chemical Identifiers
| CAS Number | 438473-98-4 |
|---|---|
| SMILES | C1=CC(=CC=C1COCC(F)(F)F)C(=O)O |
Product Overview
4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid (CAS 438473-98-4), with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol. IUPAC: 4-(2,2,2-trifluoroethoxymethyl)benzoic acid.
Chemical Property Profile of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
Property Insights of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid
The XLogP value of 2.4637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid has 1 hydrogen bond donor(s) and 2 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 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The CAS number of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is 438473-98-4.
What is the molecular formula of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The molecular formula of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is C10H9F3O3.
What is the molecular weight of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
The molecular weight of 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid is 234.05 g/mol.
Where can I buy 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
You can request a quote for 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,2,2-Trifluoroethoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.