TL;DR: Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1) (CAS 107263-95-6) is a chemical compound with molecular formula C6H5F4NO3S and molecular weight 246.99263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoropyridin-1-ium;trifluoromethanesulfonate
Also Known As: 1-Fluoropyridinium triflate, N-fluoropyridinium triflate, 1-FLUOROPYRIDINIUMTRIFLATE, 1-fluoropyridin-1-ium, N-Fluoropyridinium trifluoromethanesulfonate
| Molecular Formula | C6H5F4NO3S |
| Molecular Weight | 246.99263 g/mol |
| XLogP | 0.7581 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.99263 Da |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
| SMILES | C1=CC=[N+](C=C1)F.C(F)(F)(F)S(=O)(=O)[O-] |
| InChIKey | JFZMMCYRTJBQQI-UHFFFAOYSA-M |
The XLogP value of 0.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1). The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1). Following Lipinski's Rule of Five, Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1) has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1) is 107263-95-6.
The molecular formula of Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1) is C6H5F4NO3S.
The molecular weight of Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1) is 246.99263 g/mol.
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