Ethyl 2-(3-fluorophenyl)-2-oxoacetate
TL;DR: Ethyl 2-(3-fluorophenyl)-2-oxoacetate (CAS 110193-59-4) is a chemical compound with molecular formula C10H9FO3 and molecular weight 196.05357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3-fluorophenyl)-2-oxoacetate
Also Known As: ethyl 3-fluorobenzoylformate, ethyl 2-(3-fluorophenyl)-2-oxoacetate, Ethyl3-fluorobenzoylformate, Ethyl 2-(3-fluorophenyl)-2-oxo-acetate, Ethyl (3-fluorophenyl)(oxo)acetate
Technical Specifications
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.05357 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.05357 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CCOC(=O)C(=O)C1=CC(=CC=C1)F |
| InChIKey | MOXJARUICGBSPM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(3-fluorophenyl)-2-oxoacetate
Property Insights of Ethyl 2-(3-fluorophenyl)-2-oxoacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-fluorophenyl)-2-oxoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-(3-fluorophenyl)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-fluorophenyl)-2-oxoacetate 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
What is the CAS number of Ethyl 2-(3-fluorophenyl)-2-oxoacetate?
The CAS number of Ethyl 2-(3-fluorophenyl)-2-oxoacetate is 110193-59-4.
What is the molecular formula of Ethyl 2-(3-fluorophenyl)-2-oxoacetate?
The molecular formula of Ethyl 2-(3-fluorophenyl)-2-oxoacetate is C10H9FO3.
What is the molecular weight of Ethyl 2-(3-fluorophenyl)-2-oxoacetate?
The molecular weight of Ethyl 2-(3-fluorophenyl)-2-oxoacetate is 196.05357 g/mol.
Where can I buy Ethyl 2-(3-fluorophenyl)-2-oxoacetate?
You can request a quote for Ethyl 2-(3-fluorophenyl)-2-oxoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(3-fluorophenyl)-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(3-fluorophenyl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.