2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile (CAS 391649-86-8) is a chemical compound with molecular formula C14H14FNO and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(4-FLUOROPHENYL)PROP-2-ENENITRILE, 2-[(4-fluorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[(4-fluorophenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C14H14FNO |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 3.34788 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10594 |
| Heavy Atoms | 17 |
| Complexity | 486.43887 |
Chemical Identifiers
| CAS Number | 391649-86-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)F)C#N |
Product Overview
2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile (CAS 391649-86-8), with molecular formula C14H14FNO and molecular weight 231.11 g/mol. IUPAC: 2-[(4-fluorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile
The XLogP value of 3.34788 indicates that 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile 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-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile is 391649-86-8.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile is C14H14FNO.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile is 231.11 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-(4-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.