Prop-2-ynyl 2-chloro-2,2-difluoroacetate
TL;DR: Prop-2-ynyl 2-chloro-2,2-difluoroacetate (CAS 118373-19-6) is a chemical compound with molecular formula C5H3ClF2O2 and molecular weight 167.97896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-ynyl 2-chloro-2,2-difluoroacetate
Also Known As: prop-2-ynyl chlorodifluoroacetate, Prop-2-ynyl 2-chloro-2,2-difluoro-acetate
Technical Specifications
| Molecular Formula | C5H3ClF2O2 |
| Molecular Weight | 167.97896 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.97896 Da |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
| SMILES | C#CCOC(=O)C(F)(F)Cl |
| InChIKey | SLVPWMDBCQEPAU-UHFFFAOYSA-N |
Chemical Property Profile of Prop-2-ynyl 2-chloro-2,2-difluoroacetate
Property Insights of Prop-2-ynyl 2-chloro-2,2-difluoroacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl 2-chloro-2,2-difluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-ynyl 2-chloro-2,2-difluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 2-chloro-2,2-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 Prop-2-ynyl 2-chloro-2,2-difluoroacetate?
The CAS number of Prop-2-ynyl 2-chloro-2,2-difluoroacetate is 118373-19-6.
What is the molecular formula of Prop-2-ynyl 2-chloro-2,2-difluoroacetate?
The molecular formula of Prop-2-ynyl 2-chloro-2,2-difluoroacetate is C5H3ClF2O2.
What is the molecular weight of Prop-2-ynyl 2-chloro-2,2-difluoroacetate?
The molecular weight of Prop-2-ynyl 2-chloro-2,2-difluoroacetate is 167.97896 g/mol.
Where can I buy Prop-2-ynyl 2-chloro-2,2-difluoroacetate?
You can request a quote for Prop-2-ynyl 2-chloro-2,2-difluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Prop-2-ynyl 2-chloro-2,2-difluoroacetate?
Yes, CoreyChem provides custom synthesis services for Prop-2-ynyl 2-chloro-2,2-difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.