3-(Trifluoromethyl)-N-phenylaniline
TL;DR: 3-(Trifluoromethyl)-N-phenylaniline (CAS 101-23-5) is a chemical compound with molecular formula C13H10F3N and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-3-(trifluoromethyl)aniline
Also Known As: N-Phenyl-3-(trifluoromethyl)aniline, m-Trifluoromethyldiphenylamine, Etofenamate EP Impurity C, Etofenamate impurity C, 3-(Trifluoromethyl)diphenylamine
| Molecular Formula | C13H10F3N |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.07654 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 101-23-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | WJCRAVDPIMWFPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)-N-phenylaniline (CAS 101-23-5), with molecular formula C13H10F3N and molecular weight 237.08 g/mol. IUPAC: N-phenyl-3-(trifluoromethyl)aniline.
Chemical Property Profile of 3-(Trifluoromethyl)-N-phenylaniline
Property Insights of 3-(Trifluoromethyl)-N-phenylaniline
The XLogP value of 4.3 indicates that 3-(Trifluoromethyl)-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-(Trifluoromethyl)-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)-N-phenylaniline has 1 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)-N-phenylaniline?
The CAS number of 3-(Trifluoromethyl)-N-phenylaniline is 101-23-5.
What is the molecular formula of 3-(Trifluoromethyl)-N-phenylaniline?
The molecular formula of 3-(Trifluoromethyl)-N-phenylaniline is C13H10F3N.
What is the molecular weight of 3-(Trifluoromethyl)-N-phenylaniline?
The molecular weight of 3-(Trifluoromethyl)-N-phenylaniline is 237.08 g/mol.
Where can I buy 3-(Trifluoromethyl)-N-phenylaniline?
You can request a quote for 3-(Trifluoromethyl)-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.