2,4-Bis(trifluoromethyl)aniline
TL;DR: 2,4-Bis(trifluoromethyl)aniline (CAS 167-71-5) is a chemical compound with molecular formula C8H5F6N and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(trifluoromethyl)aniline
Also Known As: 2,4-Bis(trifluoromethyl)aniline, 2,4-Ditrifluoromethylaniline, 2,4-bis aniline, 2,4-Bis-trifluoromethylaniline, 2,4-bistrifluoromethylaniline
| Molecular Formula | C8H5F6N |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.03262 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 167-71-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)N |
| InChIKey | UIWVOUBVGBJRNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Bis(trifluoromethyl)aniline (CAS 167-71-5), with molecular formula C8H5F6N and molecular weight 229.03 g/mol. IUPAC: 2,4-bis(trifluoromethyl)aniline.
Chemical Property Profile of 2,4-Bis(trifluoromethyl)aniline
Property Insights of 2,4-Bis(trifluoromethyl)aniline
The XLogP value of 3.3 indicates that 2,4-Bis(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4-Bis(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 7 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 2,4-Bis(trifluoromethyl)aniline?
The CAS number of 2,4-Bis(trifluoromethyl)aniline is 167-71-5.
What is the molecular formula of 2,4-Bis(trifluoromethyl)aniline?
The molecular formula of 2,4-Bis(trifluoromethyl)aniline is C8H5F6N.
What is the molecular weight of 2,4-Bis(trifluoromethyl)aniline?
The molecular weight of 2,4-Bis(trifluoromethyl)aniline is 229.03 g/mol.
Where can I buy 2,4-Bis(trifluoromethyl)aniline?
You can request a quote for 2,4-Bis(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.