N-(2-fluoroethyl)aniline
TL;DR: N-(2-fluoroethyl)aniline (CAS 459-40-5) is a chemical compound with molecular formula C8H10FN and molecular weight 139.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluoroethyl)aniline
Also Known As: N-(2-fluoroethyl)aniline, (2-Fluoro-ethyl)phenyl-amine, Benzenamine, N-(2-fluoroethyl)-, (2-Fluoro-ethyl)-phenyl-amine
| Molecular Formula | C8H10FN |
|---|---|
| Molecular Weight | 139.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.07973 |
| Heavy Atoms | 10 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 459-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCF |
| InChIKey | FTPHSZHORWIRPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-fluoroethyl)aniline (CAS 459-40-5), with molecular formula C8H10FN and molecular weight 139.08 g/mol. IUPAC: N-(2-fluoroethyl)aniline.
Chemical Property Profile of N-(2-fluoroethyl)aniline
Property Insights of N-(2-fluoroethyl)aniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-fluoroethyl)aniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-(2-fluoroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-fluoroethyl)aniline 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 N-(2-fluoroethyl)aniline?
The CAS number of N-(2-fluoroethyl)aniline is 459-40-5.
What is the molecular formula of N-(2-fluoroethyl)aniline?
The molecular formula of N-(2-fluoroethyl)aniline is C8H10FN.
What is the molecular weight of N-(2-fluoroethyl)aniline?
The molecular weight of N-(2-fluoroethyl)aniline is 139.08 g/mol.
Where can I buy N-(2-fluoroethyl)aniline?
You can request a quote for N-(2-fluoroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluoroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluoroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.