3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile
TL;DR: 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile (CAS 1037593-80-8) is a chemical compound with molecular formula C7H7F3N2O and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanenitrile
Also Known As: 3-(dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile, 2-[(DIMETHYLAMINO)METHYLIDENE]-4,4,4-TRIFLUORO-3-OXOBUTANENITRILE, 2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxo-butanenitrile, 2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanenitrile
| Molecular Formula | C7H7F3N2O |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.08688 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.05104 |
| Heavy Atoms | 13 |
| Complexity | 272.4427 |
Chemical Identifiers
| CAS Number | 1037593-80-8 |
|---|---|
| SMILES | CN(C)C=C(C#N)C(=O)C(F)(F)F |
Product Overview
3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile (CAS 1037593-80-8), with molecular formula C7H7F3N2O and molecular weight 192.05 g/mol. IUPAC: 2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile
Property Insights of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile
The XLogP value of 1.08688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile 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 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile?
The CAS number of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile is 1037593-80-8.
What is the molecular formula of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile?
The molecular formula of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile is C7H7F3N2O.
What is the molecular weight of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile?
The molecular weight of 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile is 192.05 g/mol.
Where can I buy 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile?
You can request a quote for 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-(2,2,2-trifluoroacetyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.