Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate
TL;DR: Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate (CAS 4314-34-5) is a chemical compound with molecular formula C6H8F3NO3 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate
Also Known As: ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate, ethyl{[(1z)-2,2,2-trifluoroethanimidoyl]oxy}acetate
| Molecular Formula | C6H8F3NO3 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.04562 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 4314-34-5 |
|---|---|
| SMILES | CCOC(=O)COC(=N)C(F)(F)F |
| InChIKey | PHPMUIJKFRIWOX-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate (CAS 4314-34-5), with molecular formula C6H8F3NO3 and molecular weight 199.05 g/mol. IUPAC: ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate.
Chemical Property Profile of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate
Property Insights of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate. With a topological polar surface area (TPSA) of 59.4 Ų, Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate has 1 hydrogen bond donor(s) and 7 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-(2,2,2-trifluoroethanimidoyl)oxyacetate?
The CAS number of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate is 4314-34-5.
What is the molecular formula of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate?
The molecular formula of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate is C6H8F3NO3.
What is the molecular weight of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate?
The molecular weight of Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate is 199.05 g/mol.
Where can I buy Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate?
You can request a quote for Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,2,2-trifluoroethanimidoyl)oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.