Hexadecanoic acid, 2,2,2-trifluoroethyl ester
TL;DR: Hexadecanoic acid, 2,2,2-trifluoroethyl ester (CAS 119596-14-4) is a chemical compound with molecular formula C18H33F3O2 and molecular weight 338.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl hexadecanoate
Also Known As: Hexadecanoic acid, TFE, 2,2,2-Trifluoroethyl palmitate, Hexadecanoic acid, 2,2,2-trifluoroethyl ester, 2,2,2-trifluoroethyl hexadecanoate, 2,2,2-Trifluoroethyl palmitate #
| Molecular Formula | C18H33F3O2 |
|---|---|
| Molecular Weight | 338.24 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 338.24326 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 119596-14-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(F)(F)F |
| InChIKey | COZIUYRFYCGXCL-UHFFFAOYSA-N |
Product Overview
Hexadecanoic acid, 2,2,2-trifluoroethyl ester (CAS 119596-14-4), with molecular formula C18H33F3O2 and molecular weight 338.24 g/mol. IUPAC: 2,2,2-trifluoroethyl hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 2,2,2-trifluoroethyl ester
Property Insights of Hexadecanoic acid, 2,2,2-trifluoroethyl ester
The XLogP value of 8.6 indicates that Hexadecanoic acid, 2,2,2-trifluoroethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecanoic acid, 2,2,2-trifluoroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanoic acid, 2,2,2-trifluoroethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, 2,2,2-trifluoroethyl ester?
The CAS number of Hexadecanoic acid, 2,2,2-trifluoroethyl ester is 119596-14-4.
What is the molecular formula of Hexadecanoic acid, 2,2,2-trifluoroethyl ester?
The molecular formula of Hexadecanoic acid, 2,2,2-trifluoroethyl ester is C18H33F3O2.
What is the molecular weight of Hexadecanoic acid, 2,2,2-trifluoroethyl ester?
The molecular weight of Hexadecanoic acid, 2,2,2-trifluoroethyl ester is 338.24 g/mol.
Where can I buy Hexadecanoic acid, 2,2,2-trifluoroethyl ester?
You can request a quote for Hexadecanoic acid, 2,2,2-trifluoroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 2,2,2-trifluoroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 2,2,2-trifluoroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.