Chlorofluoroacetic acid
TL;DR: Chlorofluoroacetic acid (CAS 471-44-3) is a chemical compound with molecular formula C2H2ClFO2 and molecular weight 111.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-fluoroacetic acid
Also Known As: chlorofluoroacetic acid, 2-chloro-2-fluoroacetic acid, chloro(fluoro)acetic acid, Acetic acid, chlorofluoro-, CHLOROFLUOROACETICACID
| Molecular Formula | C2H2ClFO2 |
|---|---|
| Molecular Weight | 111.97 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.97273 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 471-44-3 |
|---|---|
| SMILES | C(C(=O)O)(F)Cl |
| InChIKey | JBIKZDFUXGHTHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorofluoroacetic acid (CAS 471-44-3), with molecular formula C2H2ClFO2 and molecular weight 111.97 g/mol. IUPAC: 2-chloro-2-fluoroacetic acid.
Chemical Property Profile of Chlorofluoroacetic acid
Property Insights of Chlorofluoroacetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorofluoroacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Chlorofluoroacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorofluoroacetic acid has 1 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 Chlorofluoroacetic acid?
The CAS number of Chlorofluoroacetic acid is 471-44-3.
What is the molecular formula of Chlorofluoroacetic acid?
The molecular formula of Chlorofluoroacetic acid is C2H2ClFO2.
What is the molecular weight of Chlorofluoroacetic acid?
The molecular weight of Chlorofluoroacetic acid is 111.97 g/mol.
Where can I buy Chlorofluoroacetic acid?
You can request a quote for Chlorofluoroacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorofluoroacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Chlorofluoroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.