Decyl trifluoroacetate
TL;DR: Decyl trifluoroacetate (CAS 333-88-0) is a chemical compound with molecular formula C12H21F3O2 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2,2,2-trifluoroacetate
Also Known As: Decyl trifluoroacetate, 1-Trifluoroacetoxydecane, decyl 2,2,2-trifluoroacetate, 1-Decanol, trifluoroacetate, Trifluoroacetic acid decyl ester
| Molecular Formula | C12H21F3O2 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 254.14937 |
| Heavy Atoms | 17 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 333-88-0 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(F)(F)F |
| InChIKey | VOYQYHZKXRAELV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl trifluoroacetate (CAS 333-88-0), with molecular formula C12H21F3O2 and molecular weight 254.15 g/mol. IUPAC: decyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Decyl trifluoroacetate
Property Insights of Decyl trifluoroacetate
The XLogP value of 5.6 indicates that Decyl 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, Decyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl trifluoroacetate 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 Decyl trifluoroacetate?
The CAS number of Decyl trifluoroacetate is 333-88-0.
What is the molecular formula of Decyl trifluoroacetate?
The molecular formula of Decyl trifluoroacetate is C12H21F3O2.
What is the molecular weight of Decyl trifluoroacetate?
The molecular weight of Decyl trifluoroacetate is 254.15 g/mol.
Where can I buy Decyl trifluoroacetate?
You can request a quote for Decyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.