3-(1,1,2,2-Tetrafluoroethoxy)aniline
TL;DR: 3-(1,1,2,2-Tetrafluoroethoxy)aniline (CAS 831-75-4) is a chemical compound with molecular formula C8H7F4NO and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1,2,2-tetrafluoroethoxy)aniline
Also Known As: 3-(1,1,2,2-Tetrafluoroethoxy)aniline, null, 3-(tetrafluoroethoxy)aniline, 3-TETRAFLUROETHOXYANILINE, disodium,benzene-1,3-disulfonate
| Molecular Formula | C8H7F4NO |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.04637 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 831-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(C(F)F)(F)F)N |
| InChIKey | MWDPEBMCVXNSPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,1,2,2-Tetrafluoroethoxy)aniline (CAS 831-75-4), with molecular formula C8H7F4NO and molecular weight 209.05 g/mol. IUPAC: 3-(1,1,2,2-tetrafluoroethoxy)aniline.
Chemical Property Profile of 3-(1,1,2,2-Tetrafluoroethoxy)aniline
Property Insights of 3-(1,1,2,2-Tetrafluoroethoxy)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1,2,2-Tetrafluoroethoxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(1,1,2,2-Tetrafluoroethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1,2,2-Tetrafluoroethoxy)aniline has 1 hydrogen bond donor(s) and 6 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 3-(1,1,2,2-Tetrafluoroethoxy)aniline?
The CAS number of 3-(1,1,2,2-Tetrafluoroethoxy)aniline is 831-75-4.
What is the molecular formula of 3-(1,1,2,2-Tetrafluoroethoxy)aniline?
The molecular formula of 3-(1,1,2,2-Tetrafluoroethoxy)aniline is C8H7F4NO.
What is the molecular weight of 3-(1,1,2,2-Tetrafluoroethoxy)aniline?
The molecular weight of 3-(1,1,2,2-Tetrafluoroethoxy)aniline is 209.05 g/mol.
Where can I buy 3-(1,1,2,2-Tetrafluoroethoxy)aniline?
You can request a quote for 3-(1,1,2,2-Tetrafluoroethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1,2,2-Tetrafluoroethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1,2,2-Tetrafluoroethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.