Ethyl 4,4,4-trifluoro-2-butynoate
TL;DR: Ethyl 4,4,4-trifluoro-2-butynoate (CAS 79424-03-6) is a chemical compound with molecular formula C6H5F3O2 and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluorobut-2-ynoate
Also Known As: Ethyl 4,4,4-trifluorobut-2-ynoate, Ethyl 4,4,4-trifluoro-2-butynoate, ethyl trifluoromethylpropiolate, Ethyl4,4,4-trifluoro-2-butynoate, ethyl 4,4,4-trifluoro-2-butynate
| Molecular Formula | C6H5F3O2 |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 1.1152 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02417 |
| Heavy Atoms | 11 |
| Complexity | 196.0985 |
Chemical Identifiers
| CAS Number | 79424-03-6 |
|---|---|
| SMILES | CCOC(=O)C#CC(F)(F)F |
Product Overview
Ethyl 4,4,4-trifluoro-2-butynoate (CAS 79424-03-6), with molecular formula C6H5F3O2 and molecular weight 166.02 g/mol. IUPAC: ethyl 4,4,4-trifluorobut-2-ynoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoro-2-butynoate
Property Insights of Ethyl 4,4,4-trifluoro-2-butynoate
The XLogP value of 1.1152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-trifluoro-2-butynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4,4,4-trifluoro-2-butynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoro-2-butynoate 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-2-butynoate?
The CAS number of Ethyl 4,4,4-trifluoro-2-butynoate is 79424-03-6.
What is the molecular formula of Ethyl 4,4,4-trifluoro-2-butynoate?
The molecular formula of Ethyl 4,4,4-trifluoro-2-butynoate is C6H5F3O2.
What is the molecular weight of Ethyl 4,4,4-trifluoro-2-butynoate?
The molecular weight of Ethyl 4,4,4-trifluoro-2-butynoate is 166.02 g/mol.
Where can I buy Ethyl 4,4,4-trifluoro-2-butynoate?
You can request a quote for Ethyl 4,4,4-trifluoro-2-butynoate 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-2-butynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoro-2-butynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.