Ethyl (3-(trifluoromethyl)phenyl)acetate
TL;DR: Ethyl (3-(trifluoromethyl)phenyl)acetate (CAS 721-63-1) is a chemical compound with molecular formula C11H11F3O2 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(trifluoromethyl)phenyl]acetate
Also Known As: ethyl 3-(trifluoromethyl)phenylacetate, ethyl 2-(3-(trifluoromethyl)phenyl)acetate, ethyl 2-[3-(trifluoromethyl)phenyl]acetate, ethyl 3-(trifluomethyl)phenyl acetate, Ethyl 3-trifluoromethylphenylacetate
| Molecular Formula | C11H11F3O2 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.811 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07112 |
| Heavy Atoms | 16 |
| Complexity | 371.73758 |
Chemical Identifiers
| CAS Number | 721-63-1 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=CC=C1)C(F)(F)F |
Product Overview
Ethyl (3-(trifluoromethyl)phenyl)acetate (CAS 721-63-1), with molecular formula C11H11F3O2 and molecular weight 232.07 g/mol. IUPAC: ethyl 2-[3-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of Ethyl (3-(trifluoromethyl)phenyl)acetate
Property Insights of Ethyl (3-(trifluoromethyl)phenyl)acetate
The XLogP value of 2.811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-(trifluoromethyl)phenyl)acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (3-(trifluoromethyl)phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-(trifluoromethyl)phenyl)acetate has 0 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 Ethyl (3-(trifluoromethyl)phenyl)acetate?
The CAS number of Ethyl (3-(trifluoromethyl)phenyl)acetate is 721-63-1.
What is the molecular formula of Ethyl (3-(trifluoromethyl)phenyl)acetate?
The molecular formula of Ethyl (3-(trifluoromethyl)phenyl)acetate is C11H11F3O2.
What is the molecular weight of Ethyl (3-(trifluoromethyl)phenyl)acetate?
The molecular weight of Ethyl (3-(trifluoromethyl)phenyl)acetate is 232.07 g/mol.
Where can I buy Ethyl (3-(trifluoromethyl)phenyl)acetate?
You can request a quote for Ethyl (3-(trifluoromethyl)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-(trifluoromethyl)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-(trifluoromethyl)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.