4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol
TL;DR: 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol (CAS 85068-30-0) is a chemical compound with molecular formula C9H6F6O2 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
Also Known As: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, 4-(2-Hydroxyhexafluoroisopropyl)phenol, 4-nitrophenylmethacrylate, 1,1,1,3,3,3-Hexafluoro-2-(4-hydroxyphenyl)propan-2-ol, 4593AH
| Molecular Formula | C9H6F6O2 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0272 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 85068-30-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | XBQISEWBYMWLET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol (CAS 85068-30-0), with molecular formula C9H6F6O2 and molecular weight 260.03 g/mol. IUPAC: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.
Chemical Property Profile of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol
Property Insights of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol
The XLogP value of 3.1 indicates that 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol has 2 hydrogen bond donor(s) and 8 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-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol?
The CAS number of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol is 85068-30-0.
What is the molecular formula of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol?
The molecular formula of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol is C9H6F6O2.
What is the molecular weight of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol?
The molecular weight of 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol is 260.03 g/mol.
Where can I buy 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol?
You can request a quote for 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-alpha,alpha-bis(trifluoromethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.