![(2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile structure](/static/products/2164/216431-82-2.webp)
(2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile
TL;DR: (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile (CAS 216431-82-2) is a chemical compound with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2Z)-2-(dimethylaminomethylidene)-6,6,6-trifluoro-5-oxohex-3-enenitrile
Also Known As: (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile, 2-Dimethylaminomethylidine-6,6,6-trifluoro-5-oxohex-3-enenitrile, (E,2Z)-2-(dimethylaminomethylidene)-6,6,6-trifluoro-5-oxohex-3-enenitrile, (2-dimethylaminoacrylonitrile)-1,1,1-trifluorobut-3-en-2-one, 2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile
| Molecular Formula | C9H9F3N2O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.64308 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0667 |
| Heavy Atoms | 15 |
| Complexity | 334.24707 |
Chemical Identifiers
| CAS Number | 216431-82-2 |
|---|---|
| SMILES | CN(C)/C=C(/C=C/C(=O)C(F)(F)F)\C#N |
Product Overview
(2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile (CAS 216431-82-2), with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol. IUPAC: (E,2Z)-2-(dimethylaminomethylidene)-6,6,6-trifluoro-5-oxohex-3-enenitrile.
Chemical Property Profile of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile
Property Insights of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile
The XLogP value of 1.64308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile 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 (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile?
The CAS number of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile is 216431-82-2.
What is the molecular formula of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile?
The molecular formula of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile is C9H9F3N2O.
What is the molecular weight of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile?
The molecular weight of (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile is 218.07 g/mol.
Where can I buy (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile?
You can request a quote for (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.