4-(2,2,2-Trifluoroethoxy)aniline
TL;DR: 4-(2,2,2-Trifluoroethoxy)aniline (CAS 57946-61-9) is a chemical compound with molecular formula C8H8F3NO and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trifluoroethoxy)aniline
Also Known As: 4-(2,2,2-trifluoroethoxy)aniline, 1,2-Dimethylcyclopentanol, 4- ANILINE, 4-(Trifluoroethoxy)aniline, 4-(222-Trifluoroethoxy)aniline
| Molecular Formula | C8H8F3NO |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.2099 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0558 |
| Heavy Atoms | 13 |
| Complexity | 267.71277 |
Chemical Identifiers
| CAS Number | 57946-61-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N)OCC(F)(F)F |
Product Overview
4-(2,2,2-Trifluoroethoxy)aniline (CAS 57946-61-9), with molecular formula C8H8F3NO and molecular weight 191.06 g/mol. IUPAC: 4-(2,2,2-trifluoroethoxy)aniline.
Chemical Property Profile of 4-(2,2,2-Trifluoroethoxy)aniline
Property Insights of 4-(2,2,2-Trifluoroethoxy)aniline
The XLogP value of 2.2099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,2-Trifluoroethoxy)aniline. With a topological polar surface area (TPSA) of 35.25 Ų, 4-(2,2,2-Trifluoroethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2,2-Trifluoroethoxy)aniline has 1 hydrogen bond donor(s) and 2 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 4-(2,2,2-Trifluoroethoxy)aniline?
The CAS number of 4-(2,2,2-Trifluoroethoxy)aniline is 57946-61-9.
What is the molecular formula of 4-(2,2,2-Trifluoroethoxy)aniline?
The molecular formula of 4-(2,2,2-Trifluoroethoxy)aniline is C8H8F3NO.
What is the molecular weight of 4-(2,2,2-Trifluoroethoxy)aniline?
The molecular weight of 4-(2,2,2-Trifluoroethoxy)aniline is 191.06 g/mol.
Where can I buy 4-(2,2,2-Trifluoroethoxy)aniline?
You can request a quote for 4-(2,2,2-Trifluoroethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,2-Trifluoroethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,2-Trifluoroethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.