2-Fluoroethyl hexanoate
TL;DR: 2-Fluoroethyl hexanoate (CAS 591-66-2) is a chemical compound with molecular formula C8H15FO2 and molecular weight 162.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl hexanoate
Also Known As: 2-Fluoroethyl hexanoate, 2-Fluoroethyl caproate, NIOSH/MO8100000, Hexanoic acid, 2-fluoroethyl ester
| Molecular Formula | C8H15FO2 |
|---|---|
| Molecular Weight | 162.11 g/mol |
| LogP | 2.0794 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1056 |
| Heavy Atoms | 11 |
| Complexity | 104.26518 |
Chemical Identifiers
| CAS Number | 591-66-2 |
|---|---|
| SMILES | CCCCCC(=O)OCCF |
Product Overview
2-Fluoroethyl hexanoate (CAS 591-66-2), with molecular formula C8H15FO2 and molecular weight 162.11 g/mol. IUPAC: 2-fluoroethyl hexanoate.
Chemical Property Profile of 2-Fluoroethyl hexanoate
Property Insights of 2-Fluoroethyl hexanoate
The XLogP value of 2.0794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroethyl hexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Fluoroethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoroethyl hexanoate 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 2-Fluoroethyl hexanoate?
The CAS number of 2-Fluoroethyl hexanoate is 591-66-2.
What is the molecular formula of 2-Fluoroethyl hexanoate?
The molecular formula of 2-Fluoroethyl hexanoate is C8H15FO2.
What is the molecular weight of 2-Fluoroethyl hexanoate?
The molecular weight of 2-Fluoroethyl hexanoate is 162.11 g/mol.
Where can I buy 2-Fluoroethyl hexanoate?
You can request a quote for 2-Fluoroethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.