Ethyl difluoroacetate
TL;DR: Ethyl difluoroacetate (CAS 454-31-9) is a chemical compound with molecular formula C4H6F2O2 and molecular weight 124.033585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-difluoroacetate
Also Known As: ETHYL DIFLUOROACETATE, ethyl 2,2-difluoroacetate, ethyldifluoroacetate, ethyldifluoracetat, Ethyl difluoroacetic
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6F2O2 |
| Molecular Weight | 124.033585 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.033585 Da |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| SMILES | CCOC(=O)C(F)F |
| InChIKey | GZKHDVAKKLTJPO-UHFFFAOYSA-N |
Product Description
Applications: Ethyl difluoroacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl difluoroacetate is a pharmaceutical intermediate identified by CAS number 454-31-9 and the molecular formula C4H6F2O2 and a molecular weight of 124.03 g/mol. Synonyms include ETHYL DIFLUOROACETATE and ethyl 2,2-difluoroacetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl difluoroacetate
Property Insights of Ethyl difluoroacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl difluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl difluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl difluoroacetate has 0 hydrogen bond donor(s) and 4 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 difluoroacetate?
The CAS number of Ethyl difluoroacetate is 454-31-9.
What is the molecular formula of Ethyl difluoroacetate?
The molecular formula of Ethyl difluoroacetate is C4H6F2O2.
What is the molecular weight of Ethyl difluoroacetate?
The molecular weight of Ethyl difluoroacetate is 124.033585 g/mol.
What are the applications of Ethyl difluoroacetate?
Ethyl difluoroacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl difluoroacetate?
You can request a quote for Ethyl difluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl difluoroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.