alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol
TL;DR: alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol (CAS 76953-97-4) is a chemical compound with molecular formula C10H11F3O and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
Also Known As: 1,1,1-trifluoro-2-(p-tolyl)propan-2-ol, 1,1,1-Trifluoro-2-(4-methylphenyl)propan-2-ol, 1,1,1-Trifluoro-2-(4-methylphenyl)-2-propanol, J1.718.026F, 1-(4-methylphenyl)-1-(trifluoromethyl)ethanol
| Molecular Formula | C10H11F3O |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0762 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 76953-97-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C(F)(F)F)O |
| InChIKey | GJVUMLPRUOMETM-UHFFFAOYSA-N |
Product Overview
alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol (CAS 76953-97-4), with molecular formula C10H11F3O and molecular weight 204.08 g/mol. IUPAC: 1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol.
Chemical Property Profile of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol
Property Insights of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol 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 alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol?
The CAS number of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol is 76953-97-4.
What is the molecular formula of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol?
The molecular formula of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol is C10H11F3O.
What is the molecular weight of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol?
The molecular weight of alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol is 204.08 g/mol.
Where can I buy alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol?
You can request a quote for alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha,4-Dimethyl-alpha-(trifluoromethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.