2,2,2-Trichloro-1-(4-fluorophenyl)ethanol
TL;DR: 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol (CAS 394-56-9) is a chemical compound with molecular formula C8H6Cl3FO and molecular weight 241.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(4-fluorophenyl)ethanol
Also Known As: 2,2,2-trichloro-1-(4-fluorophenyl)ethanol, p-fluorophenyl-trichloromethyl carbinol, 2,2,2-trichloro-1-(4-fluorophenyl)ethan-1-ol, benzyl alcohol, p-fluoro-, A-(trichloromethyl)-
| Molecular Formula | C8H6Cl3FO |
|---|---|
| Molecular Weight | 241.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.94682 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 394-56-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(Cl)(Cl)Cl)O)F |
| InChIKey | NXMVOAIYDICRQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trichloro-1-(4-fluorophenyl)ethanol (CAS 394-56-9), with molecular formula C8H6Cl3FO and molecular weight 241.95 g/mol. IUPAC: 2,2,2-trichloro-1-(4-fluorophenyl)ethanol.
Chemical Property Profile of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol
Property Insights of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol
The XLogP value of 3.0 indicates that 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol 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 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol?
The CAS number of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol is 394-56-9.
What is the molecular formula of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol?
The molecular formula of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol is C8H6Cl3FO.
What is the molecular weight of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol?
The molecular weight of 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol is 241.95 g/mol.
Where can I buy 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol?
You can request a quote for 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-(4-fluorophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.