1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate
TL;DR: 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate (CAS 147541-03-5) is a chemical compound with molecular formula C7H2F7NO3S and molecular weight 312.96436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate
Also Known As: 1-fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate, N-Fluoro-4,6-bis(trifluoromethyl)pyridinium-2-sulfonate, Pyridinium,1-fluoro-2-sulfo-4,6-bis(trifluoromethyl)-, inner salt, 1-fluoro-2,4-bis(trifluoromethyl)pyridine-6-sulfonate, 1-fluoro-4,6-bis(trifluoromethyl)-2-pyridin-1-iumsulfonate
Technical Specifications
| Molecular Formula | C7H2F7NO3S |
| Molecular Weight | 312.96436 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.96436 Da |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
| SMILES | C1=C(C=C([N+](=C1C(F)(F)F)F)S(=O)(=O)[O-])C(F)(F)F |
| InChIKey | LWZRPYZXABAHFJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate
Property Insights of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate. Following Lipinski's Rule of Five, 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The CAS number of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate is 147541-03-5.
What is the molecular formula of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The molecular formula of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate is C7H2F7NO3S.
What is the molecular weight of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate?
The molecular weight of 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate is 312.96436 g/mol.
Where can I buy 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate?
You can request a quote for 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.