Malonic acid, bis(fluoromethyl)ester
TL;DR: Malonic acid, bis(fluoromethyl)ester (CAS 63917-08-8) is a chemical compound with molecular formula C5H6F2O4 and molecular weight 168.02342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(fluoromethyl) propanedioate
Also Known As: Methylene bisfluoroacetate, bis(fluoromethyl) propanedioate, Malonic acid bis(fluoromethyl) ester, MALONIC ACID, BIS(FLUOROMETHYL)ESTER, 1,3-DIFLUOROMETHYL PROPANEDIOATE
Technical Specifications
| Molecular Formula | C5H6F2O4 |
| Molecular Weight | 168.02342 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.02342 Da |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
| SMILES | C(C(=O)OCF)C(=O)OCF |
| InChIKey | JVHROOASFGOKFF-UHFFFAOYSA-N |
Chemical Property Profile of Malonic acid, bis(fluoromethyl)ester
Property Insights of Malonic acid, bis(fluoromethyl)ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, bis(fluoromethyl)ester. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, bis(fluoromethyl)ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, bis(fluoromethyl)ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malonic acid, bis(fluoromethyl)ester?
The CAS number of Malonic acid, bis(fluoromethyl)ester is 63917-08-8.
What is the molecular formula of Malonic acid, bis(fluoromethyl)ester?
The molecular formula of Malonic acid, bis(fluoromethyl)ester is C5H6F2O4.
What is the molecular weight of Malonic acid, bis(fluoromethyl)ester?
The molecular weight of Malonic acid, bis(fluoromethyl)ester is 168.02342 g/mol.
Where can I buy Malonic acid, bis(fluoromethyl)ester?
You can request a quote for Malonic acid, bis(fluoromethyl)ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonic acid, bis(fluoromethyl)ester?
Yes, CoreyChem provides custom synthesis services for Malonic acid, bis(fluoromethyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.