N,N-Bis(trifluoromethyl)aniline
TL;DR: N,N-Bis(trifluoromethyl)aniline (CAS 3700-19-4) 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.
N,N-bis(trifluoromethyl)aniline
Also Known As: N,N-Bis(trifluoromethyl)aniline, bis(trifluoromethyl)aniline, bistrifluoromethylaminobenzene, BIS(TRIFLUOROMETHYL) ANILINE, N,N-Bis(Trifluoromethyl) Aniline
| Molecular Formula | C8H5F6N |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.03262 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 3700-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C(F)(F)F)C(F)(F)F |
| InChIKey | JBGNFLUETJDDBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Bis(trifluoromethyl)aniline (CAS 3700-19-4), with molecular formula C8H5F6N and molecular weight 229.03 g/mol. IUPAC: N,N-bis(trifluoromethyl)aniline.
Chemical Property Profile of N,N-Bis(trifluoromethyl)aniline
Property Insights of N,N-Bis(trifluoromethyl)aniline
The XLogP value of 4.5 indicates that N,N-Bis(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Bis(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(trifluoromethyl)aniline has 0 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 N,N-Bis(trifluoromethyl)aniline?
The CAS number of N,N-Bis(trifluoromethyl)aniline is 3700-19-4.
What is the molecular formula of N,N-Bis(trifluoromethyl)aniline?
The molecular formula of N,N-Bis(trifluoromethyl)aniline is C8H5F6N.
What is the molecular weight of N,N-Bis(trifluoromethyl)aniline?
The molecular weight of N,N-Bis(trifluoromethyl)aniline is 229.03 g/mol.
Where can I buy N,N-Bis(trifluoromethyl)aniline?
You can request a quote for N,N-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 N,N-Bis(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.