2-Fluoroaniline
TL;DR: 2-Fluoroaniline (CAS 348-54-9) is a chemical compound with molecular formula C6H6FN and molecular weight 111.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroaniline
Also Known As: 2-FLUOROANILINE, o-Fluoroaniline, 2-Fluorobenzenamine, 1-Amino-2-fluorobenzene, Benzenamine, 2-fluoro-
| Molecular Formula | C6H6FN |
|---|---|
| Molecular Weight | 111.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.04842 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | -28.5 °C |
| Boiling Point | 175.0 °C at 760 mmHg |
| Density | 1.1513 at 21.0 °C |
| Flash Point | 60.0 °C |
| Vapor Pressure | 1.0 [mmHg] |
Chemical Identifiers
| CAS Number | 348-54-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)F |
| InChIKey | FTZQXOJYPFINKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoroaniline (CAS 348-54-9), with molecular formula C6H6FN and molecular weight 111.05 g/mol. IUPAC: 2-fluoroaniline.
Chemical Property Profile of 2-Fluoroaniline
Property Insights of 2-Fluoroaniline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoroaniline has 1 hydrogen bond donor(s) and 2 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-Fluoroaniline?
The CAS number of 2-Fluoroaniline is 348-54-9.
What is the molecular formula of 2-Fluoroaniline?
The molecular formula of 2-Fluoroaniline is C6H6FN.
What is the molecular weight of 2-Fluoroaniline?
The molecular weight of 2-Fluoroaniline is 111.05 g/mol.
Where can I buy 2-Fluoroaniline?
You can request a quote for 2-Fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.