1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane
TL;DR: 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane (CAS 60569-13-3) is a chemical compound with molecular formula C4H4FN7O12 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluoro-2,2-dinitroethyl)-N-(2,2,2-trinitroethyl)nitramide
Also Known As: 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane, 1-Fluoro-1,1,3,5,5-hexaanitro-3-azapentane, N-(2-fluoro-2,2-dinitroethyl)-N-(2,2,2-trinitroethyl)nitramide, ETHANAMINE,N-(2-FLUORO-2,2-DINITROETHYL)-N,2,2,2-TETRANITRO-, N-Nitro(2-fluoro-2,2-dinitroethyl)-(2,2,2-trinitroethyl)amine
| Molecular Formula | C4H4FN7O12 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.9902 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 60569-13-3 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])N(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-] |
| InChIKey | URDZLMZOIWPZNZ-UHFFFAOYSA-N |
Product Overview
1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane (CAS 60569-13-3), with molecular formula C4H4FN7O12 and molecular weight 360.99 g/mol. IUPAC: N-(2-fluoro-2,2-dinitroethyl)-N-(2,2,2-trinitroethyl)nitramide.
Chemical Property Profile of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane
Property Insights of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane. The TPSA of 278.0 Ų indicates high polarity, suggesting 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane has 0 hydrogen bond donor(s) and 14 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-hexanitro-3-azapentane?
The CAS number of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane is 60569-13-3.
What is the molecular formula of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane?
The molecular formula of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane is C4H4FN7O12.
What is the molecular weight of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane?
The molecular weight of 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane is 360.99 g/mol.
Where can I buy 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane?
You can request a quote for 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane 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-hexanitro-3-azapentane?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-1,1,3,5,5-hexanitro-3-azapentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.