Pentafluoroaniline
TL;DR: Pentafluoroaniline (CAS 771-60-8) is a chemical compound with molecular formula C6H2F5N and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentafluoroaniline
Also Known As: Pentafluoroaniline, 2,3,4,5,6-PENTAFLUOROANILINE, Pentafluorophenylamine, Aminopentafluorobenzene, Perfluoroaniline
| Molecular Formula | C6H2F5N |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.01074 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 771-60-8 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)N |
| InChIKey | NOXLGCOSAFGMDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentafluoroaniline (CAS 771-60-8), with molecular formula C6H2F5N and molecular weight 183.01 g/mol. IUPAC: 2,3,4,5,6-pentafluoroaniline.
Chemical Property Profile of Pentafluoroaniline
Property Insights of Pentafluoroaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, Pentafluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoroaniline 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 Pentafluoroaniline?
The CAS number of Pentafluoroaniline is 771-60-8.
What is the molecular formula of Pentafluoroaniline?
The molecular formula of Pentafluoroaniline is C6H2F5N.
What is the molecular weight of Pentafluoroaniline?
The molecular weight of Pentafluoroaniline is 183.01 g/mol.
Where can I buy Pentafluoroaniline?
You can request a quote for Pentafluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.