beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol
TL;DR: beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol (CAS 32445-90-2) is a chemical compound with molecular formula C11H13F3O and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-ol
Also Known As: 2-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-ol, 2-(p-Trifluoromethylphenyl)-2-methyl-propan-1-ol, 2-Methyl-2-[4-(trifluoromethyl)phenyl]-1-propanol, beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol, 2-Methyl-2-[4-(trifluoromethyl)phenyl]-1-propanol #
| Molecular Formula | C11H13F3O |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.09184 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 32445-90-2 |
|---|---|
| SMILES | CC(C)(CO)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | NQBFNCRRADOJHM-UHFFFAOYSA-N |
Product Overview
beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol (CAS 32445-90-2), with molecular formula C11H13F3O and molecular weight 218.09 g/mol. IUPAC: 2-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-ol.
Chemical Property Profile of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol
Property Insights of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol
The XLogP value of 3.3 indicates that beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol 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 beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol?
The CAS number of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol is 32445-90-2.
What is the molecular formula of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol?
The molecular formula of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol is C11H13F3O.
What is the molecular weight of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol?
The molecular weight of beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol is 218.09 g/mol.
Where can I buy beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol?
You can request a quote for beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol?
Yes, KEHONG BIO provides custom synthesis services for beta,beta-Dimethyl-4-(trifluoromethyl)benzeneethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.