4-(2,2,2-Trifluoroethoxy)benzoic acid
TL;DR: 4-(2,2,2-Trifluoroethoxy)benzoic acid (CAS 27914-56-3) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trifluoroethoxy)benzoic acid
Also Known As: 4-(2,2,2-trifluoroethoxy)benzoic acid, Benzoic acid, 4-(2,2,2-trifluoroethoxy)-, 4-(2,2,2-trifluoroethoxy)benzoicacid, 4-(1,1-dihydroperfluoroethoxy)benzoic acid, 857-017-9
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.3259 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 342.61536 |
Chemical Identifiers
| CAS Number | 27914-56-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OCC(F)(F)F |
Product Overview
4-(2,2,2-Trifluoroethoxy)benzoic acid (CAS 27914-56-3), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 4-(2,2,2-trifluoroethoxy)benzoic acid.
Chemical Property Profile of 4-(2,2,2-Trifluoroethoxy)benzoic acid
Property Insights of 4-(2,2,2-Trifluoroethoxy)benzoic acid
The XLogP value of 2.3259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,2-Trifluoroethoxy)benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(2,2,2-Trifluoroethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2,2-Trifluoroethoxy)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)benzoic acid?
The CAS number of 4-(2,2,2-Trifluoroethoxy)benzoic acid is 27914-56-3.
What is the molecular formula of 4-(2,2,2-Trifluoroethoxy)benzoic acid?
The molecular formula of 4-(2,2,2-Trifluoroethoxy)benzoic acid is C9H7F3O3.
What is the molecular weight of 4-(2,2,2-Trifluoroethoxy)benzoic acid?
The molecular weight of 4-(2,2,2-Trifluoroethoxy)benzoic acid is 220.03 g/mol.
Where can I buy 4-(2,2,2-Trifluoroethoxy)benzoic acid?
You can request a quote for 4-(2,2,2-Trifluoroethoxy)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)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,2-Trifluoroethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.