4-Trifluoroacetylaniline
TL;DR: 4-Trifluoroacetylaniline (CAS 23516-79-2) is a chemical compound with molecular formula C8H6F3NO and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-2,2,2-trifluoroethanone
Also Known As: 1-(4-aminophenyl)-2,2,2-trifluoroethanone, 4-trifluoroacetylaniline, 4-(Trifluoroacetyl)aniline, 1-(4-Aminophenyl)-2,2,2-trifluoroethan-1-one, 1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone
| Molecular Formula | C8H6F3NO |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04015 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 23516-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)N |
| InChIKey | GHGLSQSKVJUUNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Trifluoroacetylaniline (CAS 23516-79-2), with molecular formula C8H6F3NO and molecular weight 189.04 g/mol. IUPAC: 1-(4-aminophenyl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 4-Trifluoroacetylaniline
Property Insights of 4-Trifluoroacetylaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoroacetylaniline. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Trifluoroacetylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoroacetylaniline has 1 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-Trifluoroacetylaniline?
The CAS number of 4-Trifluoroacetylaniline is 23516-79-2.
What is the molecular formula of 4-Trifluoroacetylaniline?
The molecular formula of 4-Trifluoroacetylaniline is C8H6F3NO.
What is the molecular weight of 4-Trifluoroacetylaniline?
The molecular weight of 4-Trifluoroacetylaniline is 189.04 g/mol.
Where can I buy 4-Trifluoroacetylaniline?
You can request a quote for 4-Trifluoroacetylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoroacetylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoroacetylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.