Methyl difluoroacetate
TL;DR: Methyl difluoroacetate (CAS 433-53-4) is a chemical compound with molecular formula C3H4F2O2 and molecular weight 110.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-difluoroacetate
Also Known As: Methyl difluoroacetate, methyl 2,2-difluoroacetate, methyldifluoroacetate, methyl2,2-difluoroacetate, Difluoroacetic Acid Methyl Ester
| Molecular Formula | C3H4F2O2 |
|---|---|
| Molecular Weight | 110.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.01794 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 433-53-4 |
|---|---|
| SMILES | COC(=O)C(F)F |
| InChIKey | CSSYKHYGURSRAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl difluoroacetate (CAS 433-53-4), with molecular formula C3H4F2O2 and molecular weight 110.02 g/mol. IUPAC: methyl 2,2-difluoroacetate.
Chemical Property Profile of Methyl difluoroacetate
Property Insights of Methyl difluoroacetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl difluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl difluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl difluoroacetate has 0 hydrogen bond donor(s) and 4 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 Methyl difluoroacetate?
The CAS number of Methyl difluoroacetate is 433-53-4.
What is the molecular formula of Methyl difluoroacetate?
The molecular formula of Methyl difluoroacetate is C3H4F2O2.
What is the molecular weight of Methyl difluoroacetate?
The molecular weight of Methyl difluoroacetate is 110.02 g/mol.
Where can I buy Methyl difluoroacetate?
You can request a quote for Methyl difluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl difluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.