1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane
TL;DR: 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane (CAS 60569-14-4) is a chemical compound with molecular formula C6H9FN6O10 and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dinitrobutyl)-N-(2-fluoro-2,2-dinitroethyl)nitramide
Also Known As: 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane, N-(2,2-dinitrobutyl)-N-(2-fluoro-2,2-dinitroethyl)nitramide, RefChem:230475
| Molecular Formula | C6H9FN6O10 |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0364 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 60569-14-4 |
|---|---|
| SMILES | CCC(CN(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HBYFVNPIJPIFCH-UHFFFAOYSA-N |
Product Overview
1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane (CAS 60569-14-4), with molecular formula C6H9FN6O10 and molecular weight 344.04 g/mol. IUPAC: N-(2,2-dinitrobutyl)-N-(2-fluoro-2,2-dinitroethyl)nitramide.
Chemical Property Profile of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane
Property Insights of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane. The TPSA of 232.0 Ų indicates high polarity, suggesting 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane?
The CAS number of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane is 60569-14-4.
What is the molecular formula of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane?
The molecular formula of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane is C6H9FN6O10.
What is the molecular weight of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane?
The molecular weight of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane is 344.04 g/mol.
Where can I buy 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane?
You can request a quote for 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.