1-(2-Fluoroethyl)-2-nitroimidazole
TL;DR: 1-(2-Fluoroethyl)-2-nitroimidazole (CAS 104613-88-9) is a chemical compound with molecular formula C5H6FN3O2 and molecular weight 159.0444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-fluoroethyl)-2-nitroimidazole
Also Known As: 1-Fenim, 1-(2-Fluoroethyl)-2-nitroimidazole, 1-(2-Fluoroethyl)-2-nitro-1H-imidazole, 1-(2-Fluoro-18F-ethyl)-2-nitro-IH-imidazole, IH-Imidazole, 1-(2-fluoro-18F-ethyl)-2-nitro-
Technical Specifications
| Molecular Formula | C5H6FN3O2 |
| Molecular Weight | 159.0444 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.0444 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CCF |
| InChIKey | FFFKRGOPUSSLNU-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Fluoroethyl)-2-nitroimidazole
Property Insights of 1-(2-Fluoroethyl)-2-nitroimidazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Fluoroethyl)-2-nitroimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Fluoroethyl)-2-nitroimidazole. Following Lipinski's Rule of Five, 1-(2-Fluoroethyl)-2-nitroimidazole has 0 hydrogen bond donor(s) and 4 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-(2-Fluoroethyl)-2-nitroimidazole?
The CAS number of 1-(2-Fluoroethyl)-2-nitroimidazole is 104613-88-9.
What is the molecular formula of 1-(2-Fluoroethyl)-2-nitroimidazole?
The molecular formula of 1-(2-Fluoroethyl)-2-nitroimidazole is C5H6FN3O2.
What is the molecular weight of 1-(2-Fluoroethyl)-2-nitroimidazole?
The molecular weight of 1-(2-Fluoroethyl)-2-nitroimidazole is 159.0444 g/mol.
Where can I buy 1-(2-Fluoroethyl)-2-nitroimidazole?
You can request a quote for 1-(2-Fluoroethyl)-2-nitroimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Fluoroethyl)-2-nitroimidazole?
Yes, CoreyChem provides custom synthesis services for 1-(2-Fluoroethyl)-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.