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Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate
TL;DR: Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate (CAS 338791-94-9) is a chemical compound with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate
Also Known As: Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate, 6G-324S, Ethyl2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate
| Molecular Formula | C11H9F5O3 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 3.2401 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.04718 |
| Heavy Atoms | 19 |
| Complexity | 455.88904 |
Chemical Identifiers
| CAS Number | 338791-94-9 |
|---|---|
| SMILES | CCOC(=O)C(OC1=CC=CC(=C1)C(F)(F)F)(F)F |
Product Overview
Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate (CAS 338791-94-9), with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol. IUPAC: ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate.
Chemical Property Profile of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate
Property Insights of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate
The XLogP value of 3.2401 indicates that Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate has 0 hydrogen bond donor(s) and 3 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 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate?
The CAS number of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate is 338791-94-9.
What is the molecular formula of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate?
The molecular formula of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate is C11H9F5O3.
What is the molecular weight of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate?
The molecular weight of Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate is 284.05 g/mol.
Where can I buy Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate?
You can request a quote for Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.