Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate
TL;DR: Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate (CAS 1008711-58-7) is a chemical compound with molecular formula C7H7F3N2O3 and molecular weight 224.04088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-2-[(2,2,2-trifluoroacetyl)amino]acetate
Also Known As: Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate, ethyl 3-nitrilo-N-(trifluoroacetyl)alaninate, ethyl 2-cyano-2-[(2,2,2-trifluoroacetyl)amino]acetate, Ethyl2-cyano-2-(2,2,2-trifluoroacetamido)acetate
Technical Specifications
| Molecular Formula | C7H7F3N2O3 |
| Molecular Weight | 224.04088 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.04088 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | CCOC(=O)C(C#N)NC(=O)C(F)(F)F |
| InChIKey | ZZVJBRBCDHCNHS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate
Property Insights of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate 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
What is the CAS number of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate?
The CAS number of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate is 1008711-58-7.
What is the molecular formula of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate?
The molecular formula of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate is C7H7F3N2O3.
What is the molecular weight of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate?
The molecular weight of Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate is 224.04088 g/mol.
Where can I buy Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate?
You can request a quote for Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-2-(2,2,2-trifluoroacetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.