Octadecyl trifluoroacetate
TL;DR: Octadecyl trifluoroacetate (CAS 79392-43-1) is a chemical compound with molecular formula C20H37F3O2 and molecular weight 366.27457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadecyl 2,2,2-trifluoroacetate
Also Known As: octadecyl 2,2,2-trifluoroacetate, Octadecyl trifluoroacetate, 1-Octadecanol, trifluoroacetate, octadecyl2,2,2-trifluoroacetate, Trifluoroacetic acid octadecyl ester
Technical Specifications
| Molecular Formula | C20H37F3O2 |
| Molecular Weight | 366.27457 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 366.27457 Da |
| Heavy Atoms | 25 |
| Complexity | 304.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F |
| InChIKey | YZVKTRPQHJKFOD-UHFFFAOYSA-N |
Chemical Property Profile of Octadecyl trifluoroacetate
Property Insights of Octadecyl trifluoroacetate
The XLogP value of 9.9 indicates that Octadecyl trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl trifluoroacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octadecyl trifluoroacetate?
The CAS number of Octadecyl trifluoroacetate is 79392-43-1.
What is the molecular formula of Octadecyl trifluoroacetate?
The molecular formula of Octadecyl trifluoroacetate is C20H37F3O2.
What is the molecular weight of Octadecyl trifluoroacetate?
The molecular weight of Octadecyl trifluoroacetate is 366.27457 g/mol.
Where can I buy Octadecyl trifluoroacetate?
You can request a quote for Octadecyl trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadecyl trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Octadecyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.