Heptyl trifluoroacetate
TL;DR: Heptyl trifluoroacetate (CAS 2710-89-6) is a chemical compound with molecular formula C9H15F3O2 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2,2,2-trifluoroacetate
Also Known As: Heptyl trifluoroacetate, heptyl 2,2,2-trifluoroacetate, heptan-1-yl trifluoroacetate, Acetic acid, trifluoro, heptyl ester, Trifluoroacetic acid, heptyl ester
| Molecular Formula | C9H15F3O2 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 3.0623 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.10242 |
| Heavy Atoms | 14 |
| Complexity | 165.93022 |
Chemical Identifiers
| CAS Number | 2710-89-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(F)(F)F |
Product Overview
Heptyl trifluoroacetate (CAS 2710-89-6), with molecular formula C9H15F3O2 and molecular weight 212.10 g/mol. IUPAC: heptyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Heptyl trifluoroacetate
Property Insights of Heptyl trifluoroacetate
The XLogP value of 3.0623 indicates that Heptyl 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, Heptyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl trifluoroacetate has 0 hydrogen bond donor(s) and 2 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 Heptyl trifluoroacetate?
The CAS number of Heptyl trifluoroacetate is 2710-89-6.
What is the molecular formula of Heptyl trifluoroacetate?
The molecular formula of Heptyl trifluoroacetate is C9H15F3O2.
What is the molecular weight of Heptyl trifluoroacetate?
The molecular weight of Heptyl trifluoroacetate is 212.10 g/mol.
Where can I buy Heptyl trifluoroacetate?
You can request a quote for Heptyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.