1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane
TL;DR: 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane (CAS 80308-84-5) is a chemical compound with molecular formula C6H8F2N6O11 and molecular weight 378.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-4,4-dinitrobutyl)-N-[[fluoro(dinitro)methoxy]methyl]nitramide
Also Known As: 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane, N-(4-fluoro-4,4-dinitrobutyl)-N-[[fluoro(dinitro)methoxy]methyl]nitramide, N-(4-Fluoro-4,4-dinitrobutyl)-N-{[fluorodi(nitro)methoxy]methyl}nitramide
| Molecular Formula | C6H8F2N6O11 |
|---|---|
| Molecular Weight | 378.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.0219 |
| Heavy Atoms | 25 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 80308-84-5 |
|---|---|
| SMILES | C(CC([N+](=O)[O-])([N+](=O)[O-])F)CN(COC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-] |
| InChIKey | XXYVHYYYUJTAME-UHFFFAOYSA-N |
Product Overview
1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane (CAS 80308-84-5), with molecular formula C6H8F2N6O11 and molecular weight 378.02 g/mol. IUPAC: N-(4-fluoro-4,4-dinitrobutyl)-N-[[fluoro(dinitro)methoxy]methyl]nitramide.
Chemical Property Profile of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane
Property Insights of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane. The TPSA of 242.0 Ų indicates high polarity, suggesting 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane 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 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane?
The CAS number of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane is 80308-84-5.
What is the molecular formula of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane?
The molecular formula of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane is C6H8F2N6O11.
What is the molecular weight of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane?
The molecular weight of 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane is 378.02 g/mol.
Where can I buy 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane?
You can request a quote for 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.