3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
TL;DR: 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS 119577-49-0) is a chemical compound with molecular formula C6H6ClF3O2 and molecular weight 202.00084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 3-Chloro-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one, CID 3729077
Technical Specifications
| Molecular Formula | C6H6ClF3O2 |
| Molecular Weight | 202.00084 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.00084 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| SMILES | CCOC=C(C(=O)C(F)(F)F)Cl |
| InChIKey | SXBAUTFCZDFBIW-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Property Insights of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is 119577-49-0.
What is the molecular formula of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is C6H6ClF3O2.
What is the molecular weight of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is 202.00084 g/mol.
Where can I buy 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 3-chloro-4-ethoxy-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.