Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate
TL;DR: Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate (CAS 126976-28-1) is a chemical compound with molecular formula C12H10F4O2 and molecular weight 262.0617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-2-fluoro-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: Ethyl .alpha.-fluoro-3-trifluoromethyi-cinnamate, Ethyl 2-fluoro-3-[3-(trifluoromethyl)phenyl]-2-propenoate, ethyl (Z)-2-fluoro-3-[3-(trifluoromethyl)phenyl]prop-2-enoate, Ethyl (2Z)-2-fluoro-3-[3-(trifluoromethyl)phenyl]-2-propenoate #
Technical Specifications
| Molecular Formula | C12H10F4O2 |
| Molecular Weight | 262.0617 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0617 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | CCOC(=O)/C(=C/C1=CC(=CC=C1)C(F)(F)F)/F |
| InChIKey | FEXPKRWJZITTAX-YFHOEESVSA-N |
Chemical Property Profile of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate
Property Insights of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate
The XLogP value of 3.8 indicates that Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate has 0 hydrogen bond donor(s) and 6 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-3-trifluoromethyi-cinnamate?
The CAS number of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate is 126976-28-1.
What is the molecular formula of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate?
The molecular formula of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate is C12H10F4O2.
What is the molecular weight of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate?
The molecular weight of Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate is 262.0617 g/mol.
Where can I buy Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate?
You can request a quote for Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate?
Yes, CoreyChem provides custom synthesis services for Ethyl alpha-fluoro-3-trifluoromethyi-cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.