3-Fluoroaniline
TL;DR: 3-Fluoroaniline (CAS 372-19-0) 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.
3-fluoroaniline
Also Known As: 3-FLUOROANILINE, m-Fluoroaniline, 3-Fluoranilin, 1-Amino-3-fluorobenzene, Benzenamine, 3-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 |
Chemical Identifiers
| CAS Number | 372-19-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N |
| InChIKey | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoroaniline (CAS 372-19-0), with molecular formula C6H6FN and molecular weight 111.05 g/mol. IUPAC: 3-fluoroaniline.
Chemical Property Profile of 3-Fluoroaniline
Property Insights of 3-Fluoroaniline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Fluoroaniline?
The CAS number of 3-Fluoroaniline is 372-19-0.
What is the molecular formula of 3-Fluoroaniline?
The molecular formula of 3-Fluoroaniline is C6H6FN.
What is the molecular weight of 3-Fluoroaniline?
The molecular weight of 3-Fluoroaniline is 111.05 g/mol.
Where can I buy 3-Fluoroaniline?
You can request a quote for 3-Fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.