Trifluoroacetyl-isoeugenol
TL;DR: Trifluoroacetyl-isoeugenol (CAS 107468-03-1) is a chemical compound with molecular formula C12H11F3O3 and molecular weight 260.06604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetyl-isoeugenol, Trifluoroacetyl isoeugenol, isoeugenyl trifluoroacetate, O-Trifluoroacetyl-isoeugenol, 2-Methoxy-4-[(1E)-1-propenyl]phenyl trifluoroacetate #
Technical Specifications
| Molecular Formula | C12H11F3O3 |
| Molecular Weight | 260.06604 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06604 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C/C=C/C1=CC(=C(C=C1)OC(=O)C(F)(F)F)OC |
| InChIKey | QBFWHIMEIVNBTC-ONEGZZNKSA-N |
Chemical Property Profile of Trifluoroacetyl-isoeugenol
Property Insights of Trifluoroacetyl-isoeugenol
The XLogP value of 3.8 indicates that Trifluoroacetyl-isoeugenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Trifluoroacetyl-isoeugenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetyl-isoeugenol 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 Trifluoroacetyl-isoeugenol?
The CAS number of Trifluoroacetyl-isoeugenol is 107468-03-1.
What is the molecular formula of Trifluoroacetyl-isoeugenol?
The molecular formula of Trifluoroacetyl-isoeugenol is C12H11F3O3.
What is the molecular weight of Trifluoroacetyl-isoeugenol?
The molecular weight of Trifluoroacetyl-isoeugenol is 260.06604 g/mol.
Where can I buy Trifluoroacetyl-isoeugenol?
You can request a quote for Trifluoroacetyl-isoeugenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoroacetyl-isoeugenol?
Yes, CoreyChem provides custom synthesis services for Trifluoroacetyl-isoeugenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.