Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole
TL;DR: Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole (CAS 350-54-9) 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)-3-methylbenzene
Also Known As: O(c1cccc(C)c1)C(F)(F)C(Cl)F, 1-(2-chloro-1,1,2-trifluoroethoxy)-3-methylbenzene, BETA-CHLORO-3-METHYL-ALPHA,ALPHA,BETA-TRIFLUOROPHENETOLE, 654-884-3, RefChem:567272
| 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 | 350-54-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C(F)Cl)(F)F |
| InChIKey | IUFHPFGLGWPGIY-UHFFFAOYSA-N |
Product Overview
Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole (CAS 350-54-9), with molecular formula C9H8ClF3O and molecular weight 224.02 g/mol. IUPAC: 1-(2-chloro-1,1,2-trifluoroethoxy)-3-methylbenzene.
Chemical Property Profile of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole
Property Insights of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole
The XLogP value of 4.1 indicates that Beta-chloro-3-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-3-methyl-alpha,alpha,beta-trifluorophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Beta-chloro-3-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-3-methyl-alpha,alpha,beta-trifluorophenetole?
The CAS number of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole is 350-54-9.
What is the molecular formula of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole?
The molecular formula of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole is C9H8ClF3O.
What is the molecular weight of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole?
The molecular weight of Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole is 224.02 g/mol.
Where can I buy Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole?
You can request a quote for Beta-chloro-3-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-3-methyl-alpha,alpha,beta-trifluorophenetole?
Yes, KEHONG BIO provides custom synthesis services for Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.