Malononitrile, (3-trifluoromethylbenzylidene)-
TL;DR: Malononitrile, (3-trifluoromethylbenzylidene)- (CAS 36937-90-3) is a chemical compound with molecular formula C11H5F3N2 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile
Also Known As: 2-(3-Trifluorobenzylidene)-malononitrile, 3-(Trifluoromethyl)benzalmalononitrile, MALONONITRILE, (3-TRIFLUOROMETHYLBENZYLIDENE)-, 3-(Trifluoromethyl)benzylidenemalononitrile, 2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile
| Molecular Formula | C11H5F3N2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04048 |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 36937-90-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=C(C#N)C#N |
| InChIKey | IAGXCFRBKLIQIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malononitrile, (3-trifluoromethylbenzylidene)- (CAS 36937-90-3), with molecular formula C11H5F3N2 and molecular weight 222.04 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (3-trifluoromethylbenzylidene)-
Property Insights of Malononitrile, (3-trifluoromethylbenzylidene)-
The XLogP value of 3.1 indicates that Malononitrile, (3-trifluoromethylbenzylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Malononitrile, (3-trifluoromethylbenzylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (3-trifluoromethylbenzylidene)- has 0 hydrogen bond donor(s) and 5 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 Malononitrile, (3-trifluoromethylbenzylidene)-?
The CAS number of Malononitrile, (3-trifluoromethylbenzylidene)- is 36937-90-3.
What is the molecular formula of Malononitrile, (3-trifluoromethylbenzylidene)-?
The molecular formula of Malononitrile, (3-trifluoromethylbenzylidene)- is C11H5F3N2.
What is the molecular weight of Malononitrile, (3-trifluoromethylbenzylidene)-?
The molecular weight of Malononitrile, (3-trifluoromethylbenzylidene)- is 222.04 g/mol.
Where can I buy Malononitrile, (3-trifluoromethylbenzylidene)-?
You can request a quote for Malononitrile, (3-trifluoromethylbenzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (3-trifluoromethylbenzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (3-trifluoromethylbenzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.