((4-Fluorophenyl)amino)acetonitrile
TL;DR: ((4-Fluorophenyl)amino)acetonitrile (CAS 76471-94-8) is a chemical compound with molecular formula C8H7FN2 and molecular weight 150.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluoroanilino)acetonitrile
Also Known As: ((4-Fluorophenyl)amino)acetonitrile, 2-((4-fluorophenyl)amino)acetonitrile, 2-(4-fluoroanilino)acetonitrile, 2-[(4-fluorophenyl)amino]acetonitrile, EINECS 278-475-0
| Molecular Formula | C8H7FN2 |
|---|---|
| Molecular Weight | 150.06 g/mol |
| LogP | 1.76118 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.05933 |
| Heavy Atoms | 11 |
| Complexity | 260.4157 |
Chemical Identifiers
| CAS Number | 76471-94-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC#N)F |
Product Overview
((4-Fluorophenyl)amino)acetonitrile (CAS 76471-94-8), with molecular formula C8H7FN2 and molecular weight 150.06 g/mol. IUPAC: 2-(4-fluoroanilino)acetonitrile.
Chemical Property Profile of ((4-Fluorophenyl)amino)acetonitrile
Property Insights of ((4-Fluorophenyl)amino)acetonitrile
The XLogP value of 1.76118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Fluorophenyl)amino)acetonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, ((4-Fluorophenyl)amino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-Fluorophenyl)amino)acetonitrile 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 ((4-Fluorophenyl)amino)acetonitrile?
The CAS number of ((4-Fluorophenyl)amino)acetonitrile is 76471-94-8.
What is the molecular formula of ((4-Fluorophenyl)amino)acetonitrile?
The molecular formula of ((4-Fluorophenyl)amino)acetonitrile is C8H7FN2.
What is the molecular weight of ((4-Fluorophenyl)amino)acetonitrile?
The molecular weight of ((4-Fluorophenyl)amino)acetonitrile is 150.06 g/mol.
Where can I buy ((4-Fluorophenyl)amino)acetonitrile?
You can request a quote for ((4-Fluorophenyl)amino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Fluorophenyl)amino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((4-Fluorophenyl)amino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.