2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯
TL;DR: 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 (CAS 15957-54-7) is a chemical compound with molecular formula C6H6F2N4O10 and molecular weight 332.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯
(2-fluoro-2,2-dinitroethyl) 4-fluoro-4,4-dinitrobutanoate
Also Known As: 2-Fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrate, (2-fluoro-2,2-dinitroethyl) 4-fluoro-4,4-dinitrobutanoate, 2-FLUORO-2,2-DINITROETHYL 4-FLUORO-4,4-DINITROBUTANOATE, 4-Fluoro-4,4-dinitrobutyric acid 2-fluoro-2,2-dinitroethyl ester, Butanoic acid, 4-fluoro-4,4-dinitro-, 2-fluoro-2,2-dinitroethyl ester
| Molecular Formula | C6H6F2N4O10 |
|---|---|
| Molecular Weight | 332.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0052 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 15957-54-7 |
|---|---|
| SMILES | C(CC([N+](=O)[O-])([N+](=O)[O-])F)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | RSJWIXWBPOAQET-UHFFFAOYSA-N |
Product Overview
2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 (CAS 15957-54-7), with molecular formula C6H6F2N4O10 and molecular weight 332.01 g/mol. IUPAC: (2-fluoro-2,2-dinitroethyl) 4-fluoro-4,4-dinitrobutanoate.
Chemical Property Profile of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯
Property Insights of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯. The TPSA of 210.0 Ų indicates high polarity, suggesting 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 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 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯?
The CAS number of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 is 15957-54-7.
What is the molecular formula of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯?
The molecular formula of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 is C6H6F2N4O10.
What is the molecular weight of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯?
The molecular weight of 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 is 332.01 g/mol.
Where can I buy 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯?
You can request a quote for 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氟-2,2-二硝基乙基-4-氟-4,4-二硝基丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.