2-(3-Fluorobenzylidene)malononitrile
TL;DR: 2-(3-Fluorobenzylidene)malononitrile (CAS 2972-71-6) is a chemical compound with molecular formula C10H5FN2 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylidene]propanedinitrile
Also Known As: 2-(3-Fluorobenzylidene)malononitrile, 2-[(3-fluorophenyl)methylidene]propanedinitrile, 3-Fluorobenzylidenemalononitrile, ((3-Fluorophenyl)methylene)methane-1,1-dicarbonitrile, (3-Fluorobenzylidene)malononitrile
| Molecular Formula | C10H5FN2 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.04367 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 2972-71-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C=C(C#N)C#N |
| InChIKey | MLRZOABCXQDAOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Fluorobenzylidene)malononitrile (CAS 2972-71-6), with molecular formula C10H5FN2 and molecular weight 172.04 g/mol. IUPAC: 2-[(3-fluorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(3-Fluorobenzylidene)malononitrile
Property Insights of 2-(3-Fluorobenzylidene)malononitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Fluorobenzylidene)malononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(3-Fluorobenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluorobenzylidene)malononitrile has 0 hydrogen bond donor(s) and 3 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-(3-Fluorobenzylidene)malononitrile?
The CAS number of 2-(3-Fluorobenzylidene)malononitrile is 2972-71-6.
What is the molecular formula of 2-(3-Fluorobenzylidene)malononitrile?
The molecular formula of 2-(3-Fluorobenzylidene)malononitrile is C10H5FN2.
What is the molecular weight of 2-(3-Fluorobenzylidene)malononitrile?
The molecular weight of 2-(3-Fluorobenzylidene)malononitrile is 172.04 g/mol.
Where can I buy 2-(3-Fluorobenzylidene)malononitrile?
You can request a quote for 2-(3-Fluorobenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Fluorobenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Fluorobenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.