![2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile structure](/static/products/5794/579-48-6.webp)
2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile
TL;DR: 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile (CAS 579-48-6) is a chemical compound with molecular formula C11H7FN2 and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)ethylidene]propanedinitrile
Also Known As: 2-[1-(4-fluorophenyl)ethylidene]propanedinitrile, 2-(1-(4-Fluorophenyl)ethylidene)malononitrile, [1-(4-Fluorophenyl)ethylidene]malononitrile, [1-(4-fluorophenyl)ethylidene]propanedinitrile, J2.765.353G
| Molecular Formula | C11H7FN2 |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05933 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 579-48-6 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC=C(C=C1)F |
| InChIKey | BTHFBDPPRQIWGQ-UHFFFAOYSA-N |
Product Overview
2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile (CAS 579-48-6), with molecular formula C11H7FN2 and molecular weight 186.06 g/mol. IUPAC: 2-[1-(4-fluorophenyl)ethylidene]propanedinitrile.
Chemical Property Profile of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile
Property Insights of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile 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-[1-(4-Fluorophenyl)ethylidene]propanedinitrile?
The CAS number of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile is 579-48-6.
What is the molecular formula of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile?
The molecular formula of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile is C11H7FN2.
What is the molecular weight of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile?
The molecular weight of 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile is 186.06 g/mol.
Where can I buy 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile?
You can request a quote for 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Fluorophenyl)ethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.