Ethyl 2-methyl-4,4,4-trifluorobutyrate
TL;DR: Ethyl 2-methyl-4,4,4-trifluorobutyrate (CAS 1365643-97-5) is a chemical compound with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-2-methylbutanoate
Also Known As: Ethyl 2-methyl-4,4,4-trifluorobutyrate, ethyl 4,4,4-trifluoro-2-methylbutanoate, ethyl 4,4,4-trifluoro-2-methyl-butanoate, 3990AD, 7043AA
| Molecular Formula | C7H11F3O2 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 2.138 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07112 |
| Heavy Atoms | 12 |
| Complexity | 153.2207 |
Chemical Identifiers
| CAS Number | 1365643-97-5 |
|---|---|
| SMILES | CCOC(=O)C(C)CC(F)(F)F |
Product Overview
Ethyl 2-methyl-4,4,4-trifluorobutyrate (CAS 1365643-97-5), with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol. IUPAC: ethyl 4,4,4-trifluoro-2-methylbutanoate.
Chemical Property Profile of Ethyl 2-methyl-4,4,4-trifluorobutyrate
Property Insights of Ethyl 2-methyl-4,4,4-trifluorobutyrate
The XLogP value of 2.138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4,4,4-trifluorobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methyl-4,4,4-trifluorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-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 2-methyl-4,4,4-trifluorobutyrate?
The CAS number of Ethyl 2-methyl-4,4,4-trifluorobutyrate is 1365643-97-5.
What is the molecular formula of Ethyl 2-methyl-4,4,4-trifluorobutyrate?
The molecular formula of Ethyl 2-methyl-4,4,4-trifluorobutyrate is C7H11F3O2.
What is the molecular weight of Ethyl 2-methyl-4,4,4-trifluorobutyrate?
The molecular weight of Ethyl 2-methyl-4,4,4-trifluorobutyrate is 184.07 g/mol.
Where can I buy Ethyl 2-methyl-4,4,4-trifluorobutyrate?
You can request a quote for Ethyl 2-methyl-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 2-methyl-4,4,4-trifluorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4,4,4-trifluorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.