(2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile
TL;DR: (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile (CAS 1002342-13-3) is a chemical compound with molecular formula C13H8FNS and molecular weight 229.03615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-fluorophenyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile, 3-(2-fluorophenyl)-2-thiophen-2-yl-prop-2-enenitrile, (E)-3-(2-fluorophenyl)-2-thiophen-2-ylprop-2-enenitrile, (2E)-3-(2-Fluorophenyl)-2-(thiophen-2-yl)prop-2-enenitrile, (I+/-E)-I+/--[(2-Fluorophenyl)methylene]-2-thiopheneacetonitrile
Technical Specifications
| Molecular Formula | C13H8FNS |
| Molecular Weight | 229.03615 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.03615 Da |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C2=CC=CS2)F |
| InChIKey | XYHDXTVWKNRIKV-DHZHZOJOSA-N |
Chemical Property Profile of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile
Property Insights of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile
The XLogP value of 3.5 indicates that (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile 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
What is the CAS number of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile?
The CAS number of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile is 1002342-13-3.
What is the molecular formula of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile?
The molecular formula of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile is C13H8FNS.
What is the molecular weight of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile?
The molecular weight of (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile is 229.03615 g/mol.
Where can I buy (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile?
You can request a quote for (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(2-fluorophenyl)-2-(2-thienyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.