alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
TL;DR: alpha,alpha-Bis(trifluoromethyl)benzyl alcohol (CAS 718-64-9) is a chemical compound with molecular formula C9H6F6O and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
Also Known As: 1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol, cyclocreatine, 1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol, Hexafluoro-2-phenylpropan-2-ol, Hexafluorocumyl alcohol
| Molecular Formula | C9H6F6O |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.03229 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 718-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | IZPIZCAYJQCTNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol (CAS 718-64-9), with molecular formula C9H6F6O and molecular weight 244.03 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol.
Chemical Property Profile of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
Property Insights of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
The XLogP value of 3.4 indicates that alpha,alpha-Bis(trifluoromethyl)benzyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, alpha,alpha-Bis(trifluoromethyl)benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha-Bis(trifluoromethyl)benzyl alcohol has 1 hydrogen bond donor(s) and 7 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 alpha,alpha-Bis(trifluoromethyl)benzyl alcohol?
The CAS number of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol is 718-64-9.
What is the molecular formula of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol?
The molecular formula of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol is C9H6F6O.
What is the molecular weight of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol?
The molecular weight of alpha,alpha-Bis(trifluoromethyl)benzyl alcohol is 244.03 g/mol.
Where can I buy alpha,alpha-Bis(trifluoromethyl)benzyl alcohol?
You can request a quote for alpha,alpha-Bis(trifluoromethyl)benzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Bis(trifluoromethyl)benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Bis(trifluoromethyl)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.