2-(Trifluoromethyl)benzylic alcohol
TL;DR: 2-(Trifluoromethyl)benzylic alcohol (CAS 346-06-5) is a chemical compound with molecular formula C8H7F3O and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(trifluoromethyl)phenyl]methanol
Also Known As: 2-(Trifluoromethyl)benzyl alcohol, (2-(Trifluoromethyl)phenyl)methanol, [2-(Trifluoromethyl)phenyl]methanol, q1r bxfff, 2- benzylalcohol
| Molecular Formula | C8H7F3O |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.0449 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 346-06-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CO)C(F)(F)F |
| InChIKey | TWQNSHZTQSLJEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)benzylic alcohol (CAS 346-06-5), with molecular formula C8H7F3O and molecular weight 176.04 g/mol. IUPAC: [2-(trifluoromethyl)phenyl]methanol.
Chemical Property Profile of 2-(Trifluoromethyl)benzylic alcohol
Property Insights of 2-(Trifluoromethyl)benzylic alcohol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)benzylic alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(Trifluoromethyl)benzylic alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)benzylic 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
Frequently Asked Questions
What is the CAS number of 2-(Trifluoromethyl)benzylic alcohol?
The CAS number of 2-(Trifluoromethyl)benzylic alcohol is 346-06-5.
What is the molecular formula of 2-(Trifluoromethyl)benzylic alcohol?
The molecular formula of 2-(Trifluoromethyl)benzylic alcohol is C8H7F3O.
What is the molecular weight of 2-(Trifluoromethyl)benzylic alcohol?
The molecular weight of 2-(Trifluoromethyl)benzylic alcohol is 176.04 g/mol.
Where can I buy 2-(Trifluoromethyl)benzylic alcohol?
You can request a quote for 2-(Trifluoromethyl)benzylic alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzylic alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzylic alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.