4-Trifluoroacetamidoaniline
TL;DR: 4-Trifluoroacetamidoaniline (CAS 53446-90-5) is a chemical compound with molecular formula C8H7F3N2O and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-aminophenyl)-2,2,2-trifluoroacetamide
Also Known As: 4-Trifluoroacetamidoaniline, N-(4-aminophenyl)-2,2,2-trifluoroacetamide, TFAN, p-trifluoroacetamidoaniline, 4-(trifluoroacetamido)aniline
| Molecular Formula | C8H7F3N2O |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.05104 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 53446-90-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC(=O)C(F)(F)F |
| InChIKey | DEXJVEPWTWVUNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Trifluoroacetamidoaniline (CAS 53446-90-5), with molecular formula C8H7F3N2O and molecular weight 204.05 g/mol. IUPAC: N-(4-aminophenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of 4-Trifluoroacetamidoaniline
Property Insights of 4-Trifluoroacetamidoaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoroacetamidoaniline. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Trifluoroacetamidoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoroacetamidoaniline has 2 hydrogen bond donor(s) and 5 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-Trifluoroacetamidoaniline?
The CAS number of 4-Trifluoroacetamidoaniline is 53446-90-5.
What is the molecular formula of 4-Trifluoroacetamidoaniline?
The molecular formula of 4-Trifluoroacetamidoaniline is C8H7F3N2O.
What is the molecular weight of 4-Trifluoroacetamidoaniline?
The molecular weight of 4-Trifluoroacetamidoaniline is 204.05 g/mol.
Where can I buy 4-Trifluoroacetamidoaniline?
You can request a quote for 4-Trifluoroacetamidoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoroacetamidoaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoroacetamidoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.