4-Chloro-2,3,6-trifluorobenzyl alcohol
TL;DR: 4-Chloro-2,3,6-trifluorobenzyl alcohol (CAS 252004-68-5) is a chemical compound with molecular formula C7H4ClF3O and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2,3,6-trifluorophenyl)methanol
Also Known As: 4-Chloro-2,3,6-trifluorobenzyl alcohol, (4-chloro-2,3,6-trifluorophenyl)methanol, (4-chloro-2,3,6-trifluoro-phenyl)methanol, (4-chloro-2,3,6-trifluorophenyl)methan-1-ol
| Molecular Formula | C7H4ClF3O |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.2496 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99028 |
| Heavy Atoms | 12 |
| Complexity | 314.01007 |
Chemical Identifiers
| CAS Number | 252004-68-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)F)F)CO)F |
Product Overview
4-Chloro-2,3,6-trifluorobenzyl alcohol (CAS 252004-68-5), with molecular formula C7H4ClF3O and molecular weight 195.99 g/mol. IUPAC: (4-chloro-2,3,6-trifluorophenyl)methanol.
Chemical Property Profile of 4-Chloro-2,3,6-trifluorobenzyl alcohol
Property Insights of 4-Chloro-2,3,6-trifluorobenzyl alcohol
The XLogP value of 2.2496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,3,6-trifluorobenzyl alcohol. With a topological polar surface area (TPSA) of 20.23 Ų, 4-Chloro-2,3,6-trifluorobenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,3,6-trifluorobenzyl alcohol has 1 hydrogen bond donor(s) and 1 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 4-Chloro-2,3,6-trifluorobenzyl alcohol?
The CAS number of 4-Chloro-2,3,6-trifluorobenzyl alcohol is 252004-68-5.
What is the molecular formula of 4-Chloro-2,3,6-trifluorobenzyl alcohol?
The molecular formula of 4-Chloro-2,3,6-trifluorobenzyl alcohol is C7H4ClF3O.
What is the molecular weight of 4-Chloro-2,3,6-trifluorobenzyl alcohol?
The molecular weight of 4-Chloro-2,3,6-trifluorobenzyl alcohol is 195.99 g/mol.
Where can I buy 4-Chloro-2,3,6-trifluorobenzyl alcohol?
You can request a quote for 4-Chloro-2,3,6-trifluorobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,3,6-trifluorobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,3,6-trifluorobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.