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 237.07654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10F3N |
| Molecular Weight | 237.07654 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.07654 Da |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | WJCRAVDPIMWFPG-UHFFFAOYSA-N |
Product Description
Applications: 3-(Trifluoromethyl)-N-phenylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-(Trifluoromethyl)-N-phenylaniline is a heterocyclic building block identified by CAS number 101-23-5 and the molecular formula C13H10F3N and a molecular weight of 237.08 g/mol. Synonyms include N-Phenyl-3-(trifluoromethyl)aniline and m-Trifluoromethyldiphenylamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 237.07654 g/mol.
What are the applications of 3-(Trifluoromethyl)-N-phenylaniline?
3-(Trifluoromethyl)-N-phenylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 3-(Trifluoromethyl)-N-phenylaniline?
You can request a quote for 3-(Trifluoromethyl)-N-phenylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Trifluoromethyl)-N-phenylaniline?
Yes, CoreyChem provides custom synthesis services for 3-(Trifluoromethyl)-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.