Difluoromethyl difluoromethanesulfonate
TL;DR: Difluoromethyl difluoromethanesulfonate (CAS 101817-80-5) is a chemical compound with molecular formula C2H2F4O3S and molecular weight 181.96608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
difluoromethyl difluoromethanesulfonate
Also Known As: Difluoromethyl difluoromethanesulfonate, Difluoromethyldifluoromethanesulfonate, Methanesulfonic acid, difluoro-, difluoromethyl ester, Difluoromethanesulfonic acid difluoromethyl ester, Methanesulfonic acid,difluoro-,difluoromethyl ester
Technical Specifications
| Molecular Formula | C2H2F4O3S |
| Molecular Weight | 181.96608 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.96608 Da |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
| SMILES | C(OS(=O)(=O)C(F)F)(F)F |
| InChIKey | IGPXFQOUYIQWAO-UHFFFAOYSA-N |
Chemical Property Profile of Difluoromethyl difluoromethanesulfonate
Property Insights of Difluoromethyl difluoromethanesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoromethyl difluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Difluoromethyl difluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoromethyl difluoromethanesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Difluoromethyl difluoromethanesulfonate?
The CAS number of Difluoromethyl difluoromethanesulfonate is 101817-80-5.
What is the molecular formula of Difluoromethyl difluoromethanesulfonate?
The molecular formula of Difluoromethyl difluoromethanesulfonate is C2H2F4O3S.
What is the molecular weight of Difluoromethyl difluoromethanesulfonate?
The molecular weight of Difluoromethyl difluoromethanesulfonate is 181.96608 g/mol.
Where can I buy Difluoromethyl difluoromethanesulfonate?
You can request a quote for Difluoromethyl difluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Difluoromethyl difluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for Difluoromethyl difluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.