Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate
TL;DR: Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate (CAS 144194-05-8) is a chemical compound with molecular formula C9H11F5O2 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethylpent-3-enoate
Also Known As: Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate, 3-Pentenoic acid, 3,4,5,5,5-pentafluoro-2,2-dimethyl-, ethyl ester, (E)-, ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethylpent-3-enoate, (E)-3,4,5,5,5-Pentafluoro-2,2-dimethyl-3-pentenoic acid ethyl ester, ETHYL (3E)-3,4,5,5,5-PENTAFLUORO-2,2-DIMETHYLPENT-3-ENOATE
| Molecular Formula | C9H11F5O2 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 3.2886 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06792 |
| Heavy Atoms | 16 |
| Complexity | 303.51144 |
Chemical Identifiers
| CAS Number | 144194-05-8 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)/C(=C(/C(F)(F)F)\F)/F |
Product Overview
Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate (CAS 144194-05-8), with molecular formula C9H11F5O2 and molecular weight 246.07 g/mol. IUPAC: ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethylpent-3-enoate.
Chemical Property Profile of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate
Property Insights of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate
The XLogP value of 3.2886 indicates that Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate 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 Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate?
The CAS number of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate is 144194-05-8.
What is the molecular formula of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate?
The molecular formula of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate is C9H11F5O2.
What is the molecular weight of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate?
The molecular weight of Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate is 246.07 g/mol.
Where can I buy Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate?
You can request a quote for Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (E)-3,4,5,5,5-pentafluoro-2,2-dimethyl-3-Pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.