4-(Trifluoromethoxy)benzalmalononitrile
TL;DR: 4-(Trifluoromethoxy)benzalmalononitrile (CAS 474759-76-7) is a chemical compound with molecular formula C11H5F3N2O and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(trifluoromethoxy)phenyl]methylidene]propanedinitrile
Also Known As: 4-(Trifluoromethoxy)benzalmalononitrile, 2-(4-(Trifluoromethoxy)benzylidene)malononitrile, 4-(Trifluoromethoxy)benzylidenemalonitrile, (4-(trifluoromethoxy)benzyliden)malononitrile, 2-[[4-(trifluoromethoxy)phenyl]methylidene]propanedinitrile
| Molecular Formula | C11H5F3N2O |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 3.01576 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0354 |
| Heavy Atoms | 17 |
| Complexity | 487.49368 |
Chemical Identifiers
| CAS Number | 474759-76-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)OC(F)(F)F |
Product Overview
4-(Trifluoromethoxy)benzalmalononitrile (CAS 474759-76-7), with molecular formula C11H5F3N2O and molecular weight 238.04 g/mol. IUPAC: 2-[[4-(trifluoromethoxy)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 4-(Trifluoromethoxy)benzalmalononitrile
Property Insights of 4-(Trifluoromethoxy)benzalmalononitrile
The XLogP value of 3.01576 indicates that 4-(Trifluoromethoxy)benzalmalononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 4-(Trifluoromethoxy)benzalmalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)benzalmalononitrile 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 4-(Trifluoromethoxy)benzalmalononitrile?
The CAS number of 4-(Trifluoromethoxy)benzalmalononitrile is 474759-76-7.
What is the molecular formula of 4-(Trifluoromethoxy)benzalmalononitrile?
The molecular formula of 4-(Trifluoromethoxy)benzalmalononitrile is C11H5F3N2O.
What is the molecular weight of 4-(Trifluoromethoxy)benzalmalononitrile?
The molecular weight of 4-(Trifluoromethoxy)benzalmalononitrile is 238.04 g/mol.
Where can I buy 4-(Trifluoromethoxy)benzalmalononitrile?
You can request a quote for 4-(Trifluoromethoxy)benzalmalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethoxy)benzalmalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethoxy)benzalmalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.