o-(Trifluoromethyl)phenethyl alcohol
TL;DR: o-(Trifluoromethyl)phenethyl alcohol (CAS 94022-96-5) is a chemical compound with molecular formula C9H9F3O and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(trifluoromethyl)phenyl]ethanol
Also Known As: 2-(Trifluoromethyl)phenethyl alcohol, 2-[2-(trifluoromethyl)phenyl]ethanol, 2-(2-(trifluoromethyl)phenyl)ethanol, 2-[2-(trifluoromethyl)phenyl]ethan-1-ol, o-(Trifluoromethyl)phenethyl alcohol
| Molecular Formula | C9H9F3O |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06055 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 94022-96-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCO)C(F)(F)F |
| InChIKey | DBKIEXOOUXQPGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-(Trifluoromethyl)phenethyl alcohol (CAS 94022-96-5), with molecular formula C9H9F3O and molecular weight 190.06 g/mol. IUPAC: 2-[2-(trifluoromethyl)phenyl]ethanol.
Chemical Property Profile of o-(Trifluoromethyl)phenethyl alcohol
Property Insights of o-(Trifluoromethyl)phenethyl alcohol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-(Trifluoromethyl)phenethyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, o-(Trifluoromethyl)phenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(Trifluoromethyl)phenethyl 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 o-(Trifluoromethyl)phenethyl alcohol?
The CAS number of o-(Trifluoromethyl)phenethyl alcohol is 94022-96-5.
What is the molecular formula of o-(Trifluoromethyl)phenethyl alcohol?
The molecular formula of o-(Trifluoromethyl)phenethyl alcohol is C9H9F3O.
What is the molecular weight of o-(Trifluoromethyl)phenethyl alcohol?
The molecular weight of o-(Trifluoromethyl)phenethyl alcohol is 190.06 g/mol.
Where can I buy o-(Trifluoromethyl)phenethyl alcohol?
You can request a quote for o-(Trifluoromethyl)phenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(Trifluoromethyl)phenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for o-(Trifluoromethyl)phenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.