Cyclooctyl trifluoroacetate
TL;DR: Cyclooctyl trifluoroacetate (CAS 17663-90-0) is a chemical compound with molecular formula C10H15F3O2 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooctyl 2,2,2-trifluoroacetate
Also Known As: cyclooctyl trifluoroacetate, cyclooctyl 2,2,2-trifluoroacetate, Trifluoroacetic acid cyclooctyl ester, J1.351.456I, Acetic acid,2,2,2-trifluoro-, cyclooctyl ester
| Molecular Formula | C10H15F3O2 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.10242 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 17663-90-0 |
|---|---|
| SMILES | C1CCCC(CCC1)OC(=O)C(F)(F)F |
| InChIKey | AXWMFWDPPKYELQ-UHFFFAOYSA-N |
Product Overview
Cyclooctyl trifluoroacetate (CAS 17663-90-0), with molecular formula C10H15F3O2 and molecular weight 224.10 g/mol. IUPAC: cyclooctyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Cyclooctyl trifluoroacetate
Property Insights of Cyclooctyl trifluoroacetate
The XLogP value of 4.1 indicates that Cyclooctyl 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, Cyclooctyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooctyl trifluoroacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclooctyl trifluoroacetate?
The CAS number of Cyclooctyl trifluoroacetate is 17663-90-0.
What is the molecular formula of Cyclooctyl trifluoroacetate?
The molecular formula of Cyclooctyl trifluoroacetate is C10H15F3O2.
What is the molecular weight of Cyclooctyl trifluoroacetate?
The molecular weight of Cyclooctyl trifluoroacetate is 224.10 g/mol.
Where can I buy Cyclooctyl trifluoroacetate?
You can request a quote for Cyclooctyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.