N-fluoroquinuclidinium triflate
TL;DR: N-fluoroquinuclidinium triflate (CAS 122180-10-3) is a chemical compound with molecular formula C8H13F4NO3S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-1-azoniabicyclo[2.2.2]octane;trifluoromethanesulfonate
Also Known As: N-fluoroquinuclidinium triflate, N-Fluoroquinuclidinium trifluoromethanesulphonate, N-Fluoroquinuclidinium Trifluoromethanesulfonate, N-fluoroquinuclidinium trifluoromethanesulfo-nate, N-FLUOROQUINUCLIDINIUM TRIFLUOROMETHANESULPHONAT
| Molecular Formula | C8H13F4NO3S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 1.5528 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.05524 |
| Heavy Atoms | 17 |
| Complexity | 345.68237 |
Chemical Identifiers
| CAS Number | 122180-10-3 |
|---|---|
| SMILES | C1C[N+]2(CCC1CC2)F.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
N-fluoroquinuclidinium triflate (CAS 122180-10-3), with molecular formula C8H13F4NO3S and molecular weight 279.06 g/mol. IUPAC: 1-fluoro-1-azoniabicyclo[2.2.2]octane;trifluoromethanesulfonate.
Chemical Property Profile of N-fluoroquinuclidinium triflate
Property Insights of N-fluoroquinuclidinium triflate
The XLogP value of 1.5528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-fluoroquinuclidinium triflate. With a topological polar surface area (TPSA) of 57.2 Ų, N-fluoroquinuclidinium triflate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-fluoroquinuclidinium triflate 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 N-fluoroquinuclidinium triflate?
The CAS number of N-fluoroquinuclidinium triflate is 122180-10-3.
What is the molecular formula of N-fluoroquinuclidinium triflate?
The molecular formula of N-fluoroquinuclidinium triflate is C8H13F4NO3S.
What is the molecular weight of N-fluoroquinuclidinium triflate?
The molecular weight of N-fluoroquinuclidinium triflate is 279.06 g/mol.
Where can I buy N-fluoroquinuclidinium triflate?
You can request a quote for N-fluoroquinuclidinium triflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-fluoroquinuclidinium triflate?
Yes, KEHONG BIO provides custom synthesis services for N-fluoroquinuclidinium triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.