Difluoromethyl trifluoromethanesulfonate
TL;DR: Difluoromethyl trifluoromethanesulfonate (CAS 1885-46-7) is a chemical compound with molecular formula C2HF5O3S and molecular weight 199.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
difluoromethyl trifluoromethanesulfonate
Also Known As: Difluoromethyl trifluoromethanesulfonate, Difluoromethyl triflate, Trifluoromethanesulfonic acid difluoromethyl ester, Difluoromethyl triflate, 95%, DAANAKGWBDWGBQ-UHFFFAOYSA-
| Molecular Formula | C2HF5O3S |
|---|---|
| Molecular Weight | 199.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.95665 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1885-46-7 |
|---|---|
| SMILES | C(OS(=O)(=O)C(F)(F)F)(F)F |
| InChIKey | DAANAKGWBDWGBQ-UHFFFAOYSA-N |
Product Overview
Difluoromethyl trifluoromethanesulfonate (CAS 1885-46-7), with molecular formula C2HF5O3S and molecular weight 199.96 g/mol. IUPAC: difluoromethyl trifluoromethanesulfonate.
Chemical Property Profile of Difluoromethyl trifluoromethanesulfonate
Property Insights of Difluoromethyl trifluoromethanesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoromethyl trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Difluoromethyl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoromethyl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difluoromethyl trifluoromethanesulfonate?
The CAS number of Difluoromethyl trifluoromethanesulfonate is 1885-46-7.
What is the molecular formula of Difluoromethyl trifluoromethanesulfonate?
The molecular formula of Difluoromethyl trifluoromethanesulfonate is C2HF5O3S.
What is the molecular weight of Difluoromethyl trifluoromethanesulfonate?
The molecular weight of Difluoromethyl trifluoromethanesulfonate is 199.96 g/mol.
Where can I buy Difluoromethyl trifluoromethanesulfonate?
You can request a quote for Difluoromethyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoromethyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Difluoromethyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.