Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
TL;DR: Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate (CAS 17327-34-3) is a chemical compound with molecular formula C7H8F6O2 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
Also Known As: ethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate, Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)butyrate, Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate, Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)-butyrate, Ethyl (2H-perfluoroprop-2-yl)acetate
| Molecular Formula | C7H8F6O2 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.6804 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.04285 |
| Heavy Atoms | 15 |
| Complexity | 204.50075 |
Chemical Identifiers
| CAS Number | 17327-34-3 |
|---|---|
| SMILES | CCOC(=O)CC(C(F)(F)F)C(F)(F)F |
Product Overview
Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate (CAS 17327-34-3), with molecular formula C7H8F6O2 and molecular weight 238.04 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate.
Chemical Property Profile of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
Property Insights of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
The XLogP value of 2.6804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate 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-4,4,4-trifluoro-3-(trifluoromethyl)butyrate?
The CAS number of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate is 17327-34-3.
What is the molecular formula of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate?
The molecular formula of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate is C7H8F6O2.
What is the molecular weight of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate?
The molecular weight of Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate is 238.04 g/mol.
Where can I buy Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate?
You can request a quote for Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.