2,2,2-Trifluoroethyl perfluorobutylsulfonate
TL;DR: 2,2,2-Trifluoroethyl perfluorobutylsulfonate (CAS 79963-95-4) is a chemical compound with molecular formula C6H2F12O3S and molecular weight 381.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: 2,2,2-Trifluoroethyl Nonafluorobutanesulfonate, 2,2,2-Trifluoroethyl perfluorobutylsulfonate, 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate, 2,2,2-trifluoroethylnonaflate, 2,2,2-Trifluoroethyl nonaflate
| Molecular Formula | C6H2F12O3S |
|---|---|
| Molecular Weight | 381.95 g/mol |
| LogP | 3.3208 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.9533 |
| Heavy Atoms | 22 |
| Complexity | 499.9351 |
Chemical Identifiers
| CAS Number | 79963-95-4 |
|---|---|
| SMILES | C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
2,2,2-Trifluoroethyl perfluorobutylsulfonate (CAS 79963-95-4), with molecular formula C6H2F12O3S and molecular weight 381.95 g/mol. IUPAC: 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of 2,2,2-Trifluoroethyl perfluorobutylsulfonate
Property Insights of 2,2,2-Trifluoroethyl perfluorobutylsulfonate
The XLogP value of 3.3208 indicates that 2,2,2-Trifluoroethyl perfluorobutylsulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,2,2-Trifluoroethyl perfluorobutylsulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl perfluorobutylsulfonate has 0 hydrogen bond donor(s) and 3 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 2,2,2-Trifluoroethyl perfluorobutylsulfonate?
The CAS number of 2,2,2-Trifluoroethyl perfluorobutylsulfonate is 79963-95-4.
What is the molecular formula of 2,2,2-Trifluoroethyl perfluorobutylsulfonate?
The molecular formula of 2,2,2-Trifluoroethyl perfluorobutylsulfonate is C6H2F12O3S.
What is the molecular weight of 2,2,2-Trifluoroethyl perfluorobutylsulfonate?
The molecular weight of 2,2,2-Trifluoroethyl perfluorobutylsulfonate is 381.95 g/mol.
Where can I buy 2,2,2-Trifluoroethyl perfluorobutylsulfonate?
You can request a quote for 2,2,2-Trifluoroethyl perfluorobutylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl perfluorobutylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl perfluorobutylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.