1-Chloro-1,2,2-trifluoro-1,2-dinitroethane
TL;DR: 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane (CAS 425-11-6) is a chemical compound with molecular formula C2ClF3N2O4 and molecular weight 207.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,2,2-trifluoro-1,2-dinitroethane
Also Known As: 1-chloro-1,2,2-trifluoro-1,2-dinitroethane, C2ClF3N2O4, chlorotrifluoro-1,2-dinitroethane, 1-Chloro-1,2-dinitro-1,2,2-trifluoroethane, 1,2-Dinitro-1,1,2-trifluor-2-chlor-aethan
| Molecular Formula | C2ClF3N2O4 |
|---|---|
| Molecular Weight | 207.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.94987 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 425-11-6 |
|---|---|
| SMILES | C(C([N+](=O)[O-])(F)Cl)([N+](=O)[O-])(F)F |
| InChIKey | FFFYUJXEAAHXMA-UHFFFAOYSA-N |
Product Overview
1-Chloro-1,2,2-trifluoro-1,2-dinitroethane (CAS 425-11-6), with molecular formula C2ClF3N2O4 and molecular weight 207.95 g/mol. IUPAC: 1-chloro-1,2,2-trifluoro-1,2-dinitroethane.
Chemical Property Profile of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane
Property Insights of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane. Following Lipinski's Rule of Five, 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane?
The CAS number of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane is 425-11-6.
What is the molecular formula of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane?
The molecular formula of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane is C2ClF3N2O4.
What is the molecular weight of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane?
The molecular weight of 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane is 207.95 g/mol.
Where can I buy 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane?
You can request a quote for 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,2,2-trifluoro-1,2-dinitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.