![3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile structure](/static/products/6273/62738-99-2.webp)
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile
TL;DR: 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile (CAS 62738-99-2) is a chemical compound with molecular formula C12H11F3N2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile, dimethylaminotrifluoromethylphenylacrylonitrile, 3-(Dimethylamino)-2-(3-(trifluoromethyl)phenyl)acrylonitrile, 2G-022, (2Z)-3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
| Molecular Formula | C12H11F3N2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 3.13148 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.08743 |
| Heavy Atoms | 17 |
| Complexity | 467.37445 |
Chemical Identifiers
| CAS Number | 62738-99-2 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C1=CC(=CC=C1)C(F)(F)F |
Product Overview
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile (CAS 62738-99-2), with molecular formula C12H11F3N2 and molecular weight 240.09 g/mol. IUPAC: (Z)-3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile
Property Insights of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile
The XLogP value of 3.13148 indicates that 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile 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 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile?
The CAS number of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile is 62738-99-2.
What is the molecular formula of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile?
The molecular formula of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile is C12H11F3N2.
What is the molecular weight of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile?
The molecular weight of 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile is 240.09 g/mol.
Where can I buy 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile?
You can request a quote for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.