4-Fluoro-3-(trifluoromethyl)benzyl alcohol
TL;DR: 4-Fluoro-3-(trifluoromethyl)benzyl alcohol (CAS 161957-56-8) is a chemical compound with molecular formula C8H6F4O and molecular weight 194.03548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-fluoro-3-(trifluoromethyl)phenyl]methanol
Also Known As: 4-Fluoro-3-(trifluoromethyl)benzyl alcohol, (4-Fluoro-3-(trifluoromethyl)phenyl)methanol, [4-Fluoro-3-(trifluoromethyl)phenyl]methanol, 3-trifluoromethyl-4-fluorobenzyl alcohol, 3-Bromo-2-fluorobenzoic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6F4O |
| Molecular Weight | 194.03548 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03548 Da |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
| SMILES | C1=CC(=C(C=C1CO)C(F)(F)F)F |
| InChIKey | DGBDVJVPBJMVDH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol
Property Insights of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-(trifluoromethyl)benzyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Fluoro-3-(trifluoromethyl)benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-(trifluoromethyl)benzyl alcohol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol?
The CAS number of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol is 161957-56-8.
What is the molecular formula of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol?
The molecular formula of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol is C8H6F4O.
What is the molecular weight of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol?
The molecular weight of 4-Fluoro-3-(trifluoromethyl)benzyl alcohol is 194.03548 g/mol.
Where can I buy 4-Fluoro-3-(trifluoromethyl)benzyl alcohol?
You can request a quote for 4-Fluoro-3-(trifluoromethyl)benzyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-3-(trifluoromethyl)benzyl alcohol?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-3-(trifluoromethyl)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.