Ethyl alpha-fluoro-4-cyano-cinnamate
TL;DR: Ethyl alpha-fluoro-4-cyano-cinnamate (CAS 110915-28-1) is a chemical compound with molecular formula C12H10FNO2 and molecular weight 219.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-3-(4-cyanophenyl)-2-fluoroprop-2-enoate
Also Known As: COEBUPMFJTWDLS-XFFZJAGNSA-, Ethyl .alpha.-fluoro-4-cyano-cinnamate, Ethyl 3-(4-cyanophenyl)-2-fluoroacrylate, (Z)-3-(4-cyanophenyl)-2-fluoroacrylic acid ethyl ester, ethyl (Z)-3-(4-cyanophenyl)-2-fluoro-prop-2-enoate
Technical Specifications
| Molecular Formula | C12H10FNO2 |
| Molecular Weight | 219.06955 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.06955 Da |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)C#N)/F |
| InChIKey | COEBUPMFJTWDLS-XFFZJAGNSA-N |
Chemical Property Profile of Ethyl alpha-fluoro-4-cyano-cinnamate
Property Insights of Ethyl alpha-fluoro-4-cyano-cinnamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-fluoro-4-cyano-cinnamate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl alpha-fluoro-4-cyano-cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-fluoro-4-cyano-cinnamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl alpha-fluoro-4-cyano-cinnamate?
The CAS number of Ethyl alpha-fluoro-4-cyano-cinnamate is 110915-28-1.
What is the molecular formula of Ethyl alpha-fluoro-4-cyano-cinnamate?
The molecular formula of Ethyl alpha-fluoro-4-cyano-cinnamate is C12H10FNO2.
What is the molecular weight of Ethyl alpha-fluoro-4-cyano-cinnamate?
The molecular weight of Ethyl alpha-fluoro-4-cyano-cinnamate is 219.06955 g/mol.
Where can I buy Ethyl alpha-fluoro-4-cyano-cinnamate?
You can request a quote for Ethyl alpha-fluoro-4-cyano-cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl alpha-fluoro-4-cyano-cinnamate?
Yes, CoreyChem provides custom synthesis services for Ethyl alpha-fluoro-4-cyano-cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.