Ethyl trifluoroacrylate
TL;DR: Ethyl trifluoroacrylate (CAS 392-68-7) is a chemical compound with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3,3-trifluoroprop-2-enoate
Also Known As: Ethyl trifluoroacrylate, ethyltrifluoroacrylate, ethyl 2,3,3-trifluoroprop-2-enoate, EINECS 206-878-3, ethyl 2,3,3-trifluoroacrylate
| Molecular Formula | C5H5F3O2 |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.6271 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.02417 |
| Heavy Atoms | 10 |
| Complexity | 160.276 |
Chemical Identifiers
| CAS Number | 392-68-7 |
|---|---|
| SMILES | CCOC(=O)C(=C(F)F)F |
Product Overview
Ethyl trifluoroacrylate (CAS 392-68-7), with molecular formula C5H5F3O2 and molecular weight 154.02 g/mol. IUPAC: ethyl 2,3,3-trifluoroprop-2-enoate.
Chemical Property Profile of Ethyl trifluoroacrylate
Property Insights of Ethyl trifluoroacrylate
The XLogP value of 1.6271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trifluoroacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trifluoroacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trifluoroacrylate 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 trifluoroacrylate?
The CAS number of Ethyl trifluoroacrylate is 392-68-7.
What is the molecular formula of Ethyl trifluoroacrylate?
The molecular formula of Ethyl trifluoroacrylate is C5H5F3O2.
What is the molecular weight of Ethyl trifluoroacrylate?
The molecular weight of Ethyl trifluoroacrylate is 154.02 g/mol.
Where can I buy Ethyl trifluoroacrylate?
You can request a quote for Ethyl trifluoroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trifluoroacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trifluoroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.