4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one
TL;DR: 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one (CAS 131153-94-1) is a chemical compound with molecular formula C6H7ClF2O2 and molecular weight 184.01027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one
Also Known As: 1-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one, (E)-1-Chloro-4-ethoxy-1,1-difluoro-3-buten-2-one, 1-Chloro-4-ethoxy-1,1-difluoro-3-buten-2-one, (3Z)-1-chloro-4-ethoxy-1,1-difluorobut-3-en-2-one, (Z)-1-chloro-4-ethoxy-1,1-difluoro-3-buten-2-one
Technical Specifications
| Molecular Formula | C6H7ClF2O2 |
| Molecular Weight | 184.01027 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.01027 Da |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
| SMILES | CCO/C=C/C(=O)C(F)(F)Cl |
| InChIKey | TWVHVIKKHIBYQU-ONEGZZNKSA-N |
Chemical Property Profile of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one
Property Insights of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one 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 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one?
The CAS number of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one is 131153-94-1.
What is the molecular formula of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one?
The molecular formula of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one is C6H7ClF2O2.
What is the molecular weight of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one?
The molecular weight of 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one is 184.01027 g/mol.
Where can I buy 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one?
You can request a quote for 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxy-1-chloro-1,1-difluoro-3-butene-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.