Acetic acid, 2-chloro-2-fluoro-, ethyl ester
TL;DR: Acetic acid, 2-chloro-2-fluoro-, ethyl ester (CAS 401-56-9) is a chemical compound with molecular formula C4H6ClFO2 and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-fluoroacetate
Also Known As: Ethyl chlorofluoroacetate, ethyl 2-chloro-2-fluoroacetate, EthylChlorofluoroacetate, ethyl fluorochloroacetate, ethyl chloro(fluoro)acetate
| Molecular Formula | C4H6ClFO2 |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.00403 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 401-56-9 |
|---|---|
| SMILES | CCOC(=O)C(F)Cl |
| InChIKey | WUHVJSONZHSDFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-chloro-2-fluoro-, ethyl ester (CAS 401-56-9), with molecular formula C4H6ClFO2 and molecular weight 140.00 g/mol. IUPAC: ethyl 2-chloro-2-fluoroacetate.
Chemical Property Profile of Acetic acid, 2-chloro-2-fluoro-, ethyl ester
Property Insights of Acetic acid, 2-chloro-2-fluoro-, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-2-fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-chloro-2-fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-2-fluoro-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid, 2-chloro-2-fluoro-, ethyl ester?
The CAS number of Acetic acid, 2-chloro-2-fluoro-, ethyl ester is 401-56-9.
What is the molecular formula of Acetic acid, 2-chloro-2-fluoro-, ethyl ester?
The molecular formula of Acetic acid, 2-chloro-2-fluoro-, ethyl ester is C4H6ClFO2.
What is the molecular weight of Acetic acid, 2-chloro-2-fluoro-, ethyl ester?
The molecular weight of Acetic acid, 2-chloro-2-fluoro-, ethyl ester is 140.00 g/mol.
Where can I buy Acetic acid, 2-chloro-2-fluoro-, ethyl ester?
You can request a quote for Acetic acid, 2-chloro-2-fluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-2-fluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-2-fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.