2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-
TL;DR: 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- (CAS 40696-41-1) is a chemical compound with molecular formula C7H8F2N4O11 and molecular weight 362.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-fluoro-2,2-dinitroethoxy)propan-2-one
Also Known As: 1,3-Bis -2-propanone, 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-, 1,3-Bis(2,2-dinitro-2-fluoroethoxy)-2-propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)propan-2-one, 1,3-Bis(2-fluoro-2,2-dinitroethoxy)-2-propanone
| Molecular Formula | C7H8F2N4O11 |
|---|---|
| Molecular Weight | 362.02 g/mol |
| LogP | -1.0579 |
| Topological Polar Surface Area | 208.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 362.01578 |
| Heavy Atoms | 24 |
| Complexity | 480.49026 |
Chemical Identifiers
| CAS Number | 40696-41-1 |
|---|---|
| SMILES | C(C(=O)COCC([N+](=O)[O-])([N+](=O)[O-])F)OCC([N+](=O)[O-])([N+](=O)[O-])F |
Product Overview
2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- (CAS 40696-41-1), with molecular formula C7H8F2N4O11 and molecular weight 362.02 g/mol. IUPAC: 1,3-bis(2-fluoro-2,2-dinitroethoxy)propan-2-one.
Chemical Property Profile of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-
Property Insights of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-
The XLogP value of -1.0579 indicates that 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.09 Ų indicates high polarity, suggesting 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-?
The CAS number of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- is 40696-41-1.
What is the molecular formula of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-?
The molecular formula of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- is C7H8F2N4O11.
What is the molecular weight of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-?
The molecular weight of 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- is 362.02 g/mol.
Where can I buy 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-?
You can request a quote for 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1,3-bis(2-fluoro-2,2-dinitroethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.