1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane
TL;DR: 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane (CAS 140681-54-5) is a chemical compound with molecular formula C7H14ClFN2+2 and molecular weight 180.08295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
Also Known As: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane, 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane, 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane, n-fluoro-n'-chloromethyltriethylenediaminebis(tetrafluoroborate), 1-Fluoro-4-chloromethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium
Technical Specifications
| Molecular Formula | C7H14ClFN2+2 |
| Molecular Weight | 180.08295 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.08295 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | C1C[N+]2(CC[N+]1(CC2)CCl)F |
| InChIKey | ZQGDSZPGKPJABN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane
Property Insights of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 1 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-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane?
The CAS number of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane is 140681-54-5.
What is the molecular formula of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane?
The molecular formula of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane is C7H14ClFN2+2.
What is the molecular weight of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane?
The molecular weight of 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane is 180.08295 g/mol.
Where can I buy 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane?
You can request a quote for 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane?
Yes, CoreyChem provides custom synthesis services for 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.