alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole
TL;DR: alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole (CAS 1644-21-9) is a chemical compound with molecular formula C8H5F4NO3 and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene
Also Known As: 1-Nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene, 3-Tetrafluoroethoxynitrobenzene, 3-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene, alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole, Benzene, 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)-
| Molecular Formula | C8H5F4NO3 |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.02055 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 1644-21-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(C(F)F)(F)F)[N+](=O)[O-] |
| InChIKey | NSXYRKKNVBEZDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole (CAS 1644-21-9), with molecular formula C8H5F4NO3 and molecular weight 239.02 g/mol. IUPAC: 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene.
Chemical Property Profile of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole
Property Insights of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole
The XLogP value of 3.8 indicates that alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole has 0 hydrogen bond donor(s) and 7 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,alpha,beta,beta-Tetrafluoro-m-nitrophenetole?
The CAS number of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole is 1644-21-9.
What is the molecular formula of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole?
The molecular formula of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole is C8H5F4NO3.
What is the molecular weight of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole?
The molecular weight of alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole is 239.02 g/mol.
Where can I buy alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole?
You can request a quote for alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.