2,3,6-Trifluorobenzyl alcohol
TL;DR: 2,3,6-Trifluorobenzyl alcohol (CAS 114152-19-1) is a chemical compound with molecular formula C7H5F3O and molecular weight 162.02925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,6-trifluorophenyl)methanol
Also Known As: 2,3,6-Trifluorobenzyl alcohol, (2,3,6-trifluorophenyl)methanol, Benzenemethanol, 2,3,6-trifluoro-, 2,3,6-TRIFLUOROBENZYLALCOHOL, 2, 3, 6-trifluorobenzyl alcohol
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3O |
| Molecular Weight | 162.02925 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02925 Da |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
| SMILES | C1=CC(=C(C(=C1F)CO)F)F |
| InChIKey | DWOWBLURUYIVOU-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,6-Trifluorobenzyl alcohol
Property Insights of 2,3,6-Trifluorobenzyl alcohol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trifluorobenzyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3,6-Trifluorobenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trifluorobenzyl alcohol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3,6-Trifluorobenzyl alcohol?
The CAS number of 2,3,6-Trifluorobenzyl alcohol is 114152-19-1.
What is the molecular formula of 2,3,6-Trifluorobenzyl alcohol?
The molecular formula of 2,3,6-Trifluorobenzyl alcohol is C7H5F3O.
What is the molecular weight of 2,3,6-Trifluorobenzyl alcohol?
The molecular weight of 2,3,6-Trifluorobenzyl alcohol is 162.02925 g/mol.
Where can I buy 2,3,6-Trifluorobenzyl alcohol?
You can request a quote for 2,3,6-Trifluorobenzyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,6-Trifluorobenzyl alcohol?
Yes, CoreyChem provides custom synthesis services for 2,3,6-Trifluorobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.