2,3,4,5,6-pentafluoro-N-phenylaniline
TL;DR: 2,3,4,5,6-pentafluoro-N-phenylaniline (CAS 3947-56-6) is a chemical compound with molecular formula C12H6F5N and molecular weight 259.04 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-phenylaniline
Also Known As: 2,3,4,5,6-pentafluoro-N-phenylaniline, N-phenylpentafluoroaniline, IFLab1_000816, Benzenamine, 2,3,4,5,6-pentafluoro-N-phenyl-, J3.178.339I
| Molecular Formula | C12H6F5N |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 4.1257 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04205 |
| Heavy Atoms | 18 |
| Complexity | 553.7619 |
Chemical Identifiers
| CAS Number | 3947-56-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
2,3,4,5,6-pentafluoro-N-phenylaniline (CAS 3947-56-6), with molecular formula C12H6F5N and molecular weight 259.04 g/mol. IUPAC: 2,3,4,5,6-pentafluoro-N-phenylaniline.
Chemical Property Profile of 2,3,4,5,6-pentafluoro-N-phenylaniline
Property Insights of 2,3,4,5,6-pentafluoro-N-phenylaniline
The XLogP value of 4.1257 indicates that 2,3,4,5,6-pentafluoro-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2,3,4,5,6-pentafluoro-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-pentafluoro-N-phenylaniline has 1 hydrogen bond donor(s) and 1 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-phenylaniline?
The CAS number of 2,3,4,5,6-pentafluoro-N-phenylaniline is 3947-56-6.
What is the molecular formula of 2,3,4,5,6-pentafluoro-N-phenylaniline?
The molecular formula of 2,3,4,5,6-pentafluoro-N-phenylaniline is C12H6F5N.
What is the molecular weight of 2,3,4,5,6-pentafluoro-N-phenylaniline?
The molecular weight of 2,3,4,5,6-pentafluoro-N-phenylaniline is 259.04 g/mol.
Where can I buy 2,3,4,5,6-pentafluoro-N-phenylaniline?
You can request a quote for 2,3,4,5,6-pentafluoro-N-phenylaniline 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-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-pentafluoro-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.