2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline
TL;DR: 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline (CAS 258353-01-4) is a chemical compound with molecular formula C9H7F6NO and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)aniline
Also Known As: 2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)aniline, 2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenylamine
| Molecular Formula | C9H7F6NO |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04318 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 258353-01-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)OCC(F)(F)F |
| InChIKey | YNQOGGRDSJWRMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline (CAS 258353-01-4), with molecular formula C9H7F6NO and molecular weight 259.04 g/mol. IUPAC: 2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline
Property Insights of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline
The XLogP value of 3.2 indicates that 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 8 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 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline?
The CAS number of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline is 258353-01-4.
What is the molecular formula of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline?
The molecular formula of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline is C9H7F6NO.
What is the molecular weight of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline?
The molecular weight of 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline is 259.04 g/mol.
Where can I buy 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline?
You can request a quote for 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.