3-(Trifluoromethyl)phenethylic alcohol
TL;DR: 3-(Trifluoromethyl)phenethylic alcohol (CAS 455-01-6) 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-[3-(trifluoromethyl)phenyl]ethanol
Also Known As: 2-(3-(Trifluoromethyl)phenyl)ethanol, 3-(Trifluoromethyl)phenethyl alcohol, 2-[3-(Trifluoromethyl)phenyl]ethanol, Benzeneethanol, 3-(trifluoromethyl)-, 2-[3-(trifluoromethyl)phenyl]ethan-1-ol
| 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 | 455-01-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCO |
| InChIKey | YDKIPCCKZKQMDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)phenethylic alcohol (CAS 455-01-6), with molecular formula C9H9F3O and molecular weight 190.06 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]ethanol.
Chemical Property Profile of 3-(Trifluoromethyl)phenethylic alcohol
Property Insights of 3-(Trifluoromethyl)phenethylic alcohol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)phenethylic alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(Trifluoromethyl)phenethylic alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenethylic 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 3-(Trifluoromethyl)phenethylic alcohol?
The CAS number of 3-(Trifluoromethyl)phenethylic alcohol is 455-01-6.
What is the molecular formula of 3-(Trifluoromethyl)phenethylic alcohol?
The molecular formula of 3-(Trifluoromethyl)phenethylic alcohol is C9H9F3O.
What is the molecular weight of 3-(Trifluoromethyl)phenethylic alcohol?
The molecular weight of 3-(Trifluoromethyl)phenethylic alcohol is 190.06 g/mol.
Where can I buy 3-(Trifluoromethyl)phenethylic alcohol?
You can request a quote for 3-(Trifluoromethyl)phenethylic alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenethylic alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenethylic alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.