Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
TL;DR: Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole (CAS 349-07-5) is a chemical compound with molecular formula C9H8ClF3O and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene
Also Known As: 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene, O(c1ccccc1C)C(F)(F)C(Cl)F, BETA-CHLORO-2-METHYL-ALPHA,ALPHA,BETA-TRIFLUOROPHENETOLE, 654-335-8, RefChem:567271
| Molecular Formula | C9H8ClF3O |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.02158 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 349-07-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(C(F)Cl)(F)F |
| InChIKey | IWJVUBUSVZHVJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole (CAS 349-07-5), with molecular formula C9H8ClF3O and molecular weight 224.02 g/mol. IUPAC: 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzene.
Chemical Property Profile of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
Property Insights of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole
The XLogP value of 4.1 indicates that Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole has 0 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-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole?
The CAS number of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole is 349-07-5.
What is the molecular formula of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole?
The molecular formula of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole is C9H8ClF3O.
What is the molecular weight of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole?
The molecular weight of Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole is 224.02 g/mol.
Where can I buy Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole?
You can request a quote for Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole?
Yes, KEHONG BIO provides custom synthesis services for Beta-chloro-2-methyl-alpha,alpha,beta-trifluorophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.