![ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate structure](/static/products/168/168101-85-7.png)
ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate
TL;DR: ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate (CAS 168101-85-7) is a chemical compound with molecular formula C11H16ClF3O3 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate
Also Known As: ethyl 2-<(E)-2-hexenyloxy>-2-chloro-3,3,3-trifluoropropanoate, Ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate, 2-Chloro-3,3,3-trifluoro-2-[((E)-hex-2-enyl)oxy]-propionic acid ethyl ester
| Molecular Formula | C11H16ClF3O3 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 3.4198 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.074 |
| Heavy Atoms | 18 |
| Complexity | 291.74826 |
Chemical Identifiers
| CAS Number | 168101-85-7 |
|---|---|
| SMILES | CCC/C=C/COC(C(=O)OCC)(C(F)(F)F)Cl |
Product Overview
ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate (CAS 168101-85-7), with molecular formula C11H16ClF3O3 and molecular weight 288.07 g/mol. IUPAC: ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate.
Chemical Property Profile of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate
Property Insights of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate
The XLogP value of 3.4198 indicates that ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate has 0 hydrogen bond donor(s) and 3 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 ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate?
The CAS number of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate is 168101-85-7.
What is the molecular formula of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate?
The molecular formula of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate is C11H16ClF3O3.
What is the molecular weight of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate?
The molecular weight of ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate is 288.07 g/mol.
Where can I buy ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate?
You can request a quote for ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-chloro-3,3,3-trifluoro-2-[(E)-hex-2-enoxy]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.