2,2-Dichloro-2-fluoroethanol
TL;DR: 2,2-Dichloro-2-fluoroethanol (CAS 5436-68-0) is a chemical compound with molecular formula C2H3Cl2FO and molecular weight 131.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-2-fluoroethanol
Also Known As: 2,2-Dichloro-2-fluoroethanol, Pyridinium trifluoroacetate, Ethanol,2,2-dichloro-2-fluoro-, 2,2-dichloro-2-fluoro-ethanol, 2,2-dichloro-2-fluoroethan-1-ol
| Molecular Formula | C2H3Cl2FO |
|---|---|
| Molecular Weight | 131.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.9545 |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 5436-68-0 |
|---|---|
| SMILES | C(C(F)(Cl)Cl)O |
| InChIKey | LJTFLXOWPJPVCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloro-2-fluoroethanol (CAS 5436-68-0), with molecular formula C2H3Cl2FO and molecular weight 131.95 g/mol. IUPAC: 2,2-dichloro-2-fluoroethanol.
Chemical Property Profile of 2,2-Dichloro-2-fluoroethanol
Property Insights of 2,2-Dichloro-2-fluoroethanol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-2-fluoroethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2-Dichloro-2-fluoroethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-2-fluoroethanol has 1 hydrogen bond donor(s) and 2 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 2,2-Dichloro-2-fluoroethanol?
The CAS number of 2,2-Dichloro-2-fluoroethanol is 5436-68-0.
What is the molecular formula of 2,2-Dichloro-2-fluoroethanol?
The molecular formula of 2,2-Dichloro-2-fluoroethanol is C2H3Cl2FO.
What is the molecular weight of 2,2-Dichloro-2-fluoroethanol?
The molecular weight of 2,2-Dichloro-2-fluoroethanol is 131.95 g/mol.
Where can I buy 2,2-Dichloro-2-fluoroethanol?
You can request a quote for 2,2-Dichloro-2-fluoroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloro-2-fluoroethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-2-fluoroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.