2,2-Difluorocitric acid
TL;DR: 2,2-Difluorocitric acid (CAS 139182-83-5) is a chemical compound with molecular formula C6H6F2O7 and molecular weight 228.00816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-difluoro-2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2,2-Difluorocitric acid, 2,2-Difluorocitrate, 1,1-difluoro-2-hydroxypropane-1,2,3-tricarboxylic acid, 1,2,3-Propanetricarboxylicacid, 1,1-difluoro-2-hydroxy-, disodium salt, (+)- (9CI)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6F2O7 |
| Molecular Weight | 228.00816 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.00816 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C(C(=O)O)C(C(=O)O)(C(C(=O)O)(F)F)O |
| InChIKey | SQDDNXLKKRCUBM-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Difluorocitric acid
Property Insights of 2,2-Difluorocitric acid
The XLogP value of -1.3 indicates that 2,2-Difluorocitric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Difluorocitric acid. Following Lipinski's Rule of Five, 2,2-Difluorocitric acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Difluorocitric acid?
The CAS number of 2,2-Difluorocitric acid is 139182-83-5.
What is the molecular formula of 2,2-Difluorocitric acid?
The molecular formula of 2,2-Difluorocitric acid is C6H6F2O7.
What is the molecular weight of 2,2-Difluorocitric acid?
The molecular weight of 2,2-Difluorocitric acid is 228.00816 g/mol.
Where can I buy 2,2-Difluorocitric acid?
You can request a quote for 2,2-Difluorocitric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Difluorocitric acid?
Yes, CoreyChem provides custom synthesis services for 2,2-Difluorocitric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.