2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline
TL;DR: 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline (CAS 80640-79-5) is a chemical compound with molecular formula C15H12F5N and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline
Also Known As: 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline, Benzeneethanamine, beta-methyl-N-(2,3,4,5,6-pentafluorophenyl)-
| Molecular Formula | C15H12F5N |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.089 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 80640-79-5 |
|---|---|
| SMILES | CC(CNC1=C(C(=C(C(=C1F)F)F)F)F)C2=CC=CC=C2 |
| InChIKey | GFIADRBBEYTQKR-UHFFFAOYSA-N |
Product Overview
2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline (CAS 80640-79-5), with molecular formula C15H12F5N and molecular weight 301.09 g/mol. IUPAC: 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline.
Chemical Property Profile of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline
Property Insights of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline
The XLogP value of 4.7 indicates that 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline has 1 hydrogen bond donor(s) and 6 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 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline?
The CAS number of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline is 80640-79-5.
What is the molecular formula of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline?
The molecular formula of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline is C15H12F5N.
What is the molecular weight of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline?
The molecular weight of 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline is 301.09 g/mol.
Where can I buy 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline?
You can request a quote for 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-pentafluoro-N-(2-phenylpropyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.