Allyl chlorodifluoroacetate
TL;DR: Allyl chlorodifluoroacetate (CAS 118337-48-7) is a chemical compound with molecular formula C5H5ClF2O2 and molecular weight 169.99461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2-chloro-2,2-difluoroacetate
Also Known As: Allyl chlorodifluoroacetate, CHLORO-DIFLUORO-ACETICACIDALLYLESTER, Allyl Chloro(Difluoro)Acetate, Allyl 2-chloro-2,2-difluoroacetate, prop-2-enyl 2-chloro-2,2-difluoroacetate
Technical Specifications
| Molecular Formula | C5H5ClF2O2 |
| Molecular Weight | 169.99461 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.99461 Da |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
| SMILES | C=CCOC(=O)C(F)(F)Cl |
| InChIKey | RVOSMQFOBYVXQI-UHFFFAOYSA-N |
Chemical Property Profile of Allyl chlorodifluoroacetate
Property Insights of Allyl chlorodifluoroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl chlorodifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl chlorodifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl chlorodifluoroacetate 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 Allyl chlorodifluoroacetate?
The CAS number of Allyl chlorodifluoroacetate is 118337-48-7.
What is the molecular formula of Allyl chlorodifluoroacetate?
The molecular formula of Allyl chlorodifluoroacetate is C5H5ClF2O2.
What is the molecular weight of Allyl chlorodifluoroacetate?
The molecular weight of Allyl chlorodifluoroacetate is 169.99461 g/mol.
Where can I buy Allyl chlorodifluoroacetate?
You can request a quote for Allyl chlorodifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl chlorodifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Allyl chlorodifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.