2-Fluoro-2,2-dinitroethyl carbonate(2:1)
TL;DR: 2-Fluoro-2,2-dinitroethyl carbonate(2:1) (CAS 20677-77-4) is a chemical compound with molecular formula C5H4F2N4O11 and molecular weight 333.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-fluoro-2,2-dinitroethyl) carbonate
Also Known As: bis(2-fluoro-2,2-dinitroethyl) carbonate, 2-Fluoro-2,2-dinitroethyl carbonate(2:1), 2-Fluoro-2,2-dinitroethyl-carbonat, bis(2-fluoro-2,2-dinitro-ethyl) carbonate, NCI60_002694
| Molecular Formula | C5H4F2N4O11 |
|---|---|
| Molecular Weight | 333.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.98447 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 20677-77-4 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | BPMXMXFLNKOZJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-2,2-dinitroethyl carbonate(2:1) (CAS 20677-77-4), with molecular formula C5H4F2N4O11 and molecular weight 333.98 g/mol. IUPAC: bis(2-fluoro-2,2-dinitroethyl) carbonate.
Chemical Property Profile of 2-Fluoro-2,2-dinitroethyl carbonate(2:1)
Property Insights of 2-Fluoro-2,2-dinitroethyl carbonate(2:1)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-2,2-dinitroethyl carbonate(2:1). The TPSA of 219.0 Ų indicates high polarity, suggesting 2-Fluoro-2,2-dinitroethyl carbonate(2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Fluoro-2,2-dinitroethyl carbonate(2:1) has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluoro-2,2-dinitroethyl carbonate(2:1)?
The CAS number of 2-Fluoro-2,2-dinitroethyl carbonate(2:1) is 20677-77-4.
What is the molecular formula of 2-Fluoro-2,2-dinitroethyl carbonate(2:1)?
The molecular formula of 2-Fluoro-2,2-dinitroethyl carbonate(2:1) is C5H4F2N4O11.
What is the molecular weight of 2-Fluoro-2,2-dinitroethyl carbonate(2:1)?
The molecular weight of 2-Fluoro-2,2-dinitroethyl carbonate(2:1) is 333.98 g/mol.
Where can I buy 2-Fluoro-2,2-dinitroethyl carbonate(2:1)?
You can request a quote for 2-Fluoro-2,2-dinitroethyl carbonate(2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-2,2-dinitroethyl carbonate(2:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-2,2-dinitroethyl carbonate(2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.