Ethyl 4,4,4-Trifluorobutyrate
TL;DR: Ethyl 4,4,4-Trifluorobutyrate (CAS 371-26-6) is a chemical compound with molecular formula C6H9F3O2 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluorobutanoate
Also Known As: Ethyl 4,4,4-trifluorobutyrate, ethyl 4,4,4-trifluorobutanoate, n-Heneicosane, ethyl4,4,4-trifluorobutyrate, ethyl4,4,4-trifluorobutanoate
| Molecular Formula | C6H9F3O2 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.892 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.05547 |
| Heavy Atoms | 11 |
| Complexity | 130.27931 |
Chemical Identifiers
| CAS Number | 371-26-6 |
|---|---|
| SMILES | CCOC(=O)CCC(F)(F)F |
Product Overview
Ethyl 4,4,4-Trifluorobutyrate (CAS 371-26-6), with molecular formula C6H9F3O2 and molecular weight 170.06 g/mol. IUPAC: ethyl 4,4,4-trifluorobutanoate.
Chemical Property Profile of Ethyl 4,4,4-Trifluorobutyrate
Property Insights of Ethyl 4,4,4-Trifluorobutyrate
The XLogP value of 1.892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-Trifluorobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4,4,4-Trifluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-Trifluorobutyrate 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-Trifluorobutyrate?
The CAS number of Ethyl 4,4,4-Trifluorobutyrate is 371-26-6.
What is the molecular formula of Ethyl 4,4,4-Trifluorobutyrate?
The molecular formula of Ethyl 4,4,4-Trifluorobutyrate is C6H9F3O2.
What is the molecular weight of Ethyl 4,4,4-Trifluorobutyrate?
The molecular weight of Ethyl 4,4,4-Trifluorobutyrate is 170.06 g/mol.
Where can I buy Ethyl 4,4,4-Trifluorobutyrate?
You can request a quote for Ethyl 4,4,4-Trifluorobutyrate 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-Trifluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-Trifluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.