![2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile structure](/static/products/3693/36937-89-0.webp)
2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile
TL;DR: 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile (CAS 36937-89-0) 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-[[2-(trifluoromethyl)phenyl]methylidene]propanedinitrile
Also Known As: 2-(Trifluoromethyl)-benzylidenemalononitrile, 2-TRIFLUOROMETHYL-BENZALMALONONITRILE, [2-(trifluoromethyl)benzylidene]malononitrile, 2-(2-(trifluoromethyl)benzylidene)malononitrile, 2-[[2-(trifluoromethyl)phenyl]methylidene]propanedinitrile
| Molecular Formula | C11H5F3N2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 3.13596 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04048 |
| Heavy Atoms | 16 |
| Complexity | 485.18655 |
Chemical Identifiers
| CAS Number | 36937-89-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C#N)C(F)(F)F |
Product Overview
2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile (CAS 36937-89-0), with molecular formula C11H5F3N2 and molecular weight 222.04 g/mol. IUPAC: 2-[[2-(trifluoromethyl)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile
Property Insights of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile
The XLogP value of 3.13596 indicates that 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile has 0 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 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile?
The CAS number of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile is 36937-89-0.
What is the molecular formula of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile?
The molecular formula of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile is C11H5F3N2.
What is the molecular weight of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile?
The molecular weight of 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile is 222.04 g/mol.
Where can I buy 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile?
You can request a quote for 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(Trifluoromethyl)phenyl]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.