Acetic acid, fluoro-, 2-ethylpentyl ester
TL;DR: Acetic acid, fluoro-, 2-ethylpentyl ester (CAS 63905-87-3) is a chemical compound with molecular formula C9H17FO2 and molecular weight 176.12126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylpentyl 2-fluoroacetate
Also Known As: 2-Ethylamyl fluoroacetate, 2-ethylpentyl 2-fluoroacetate, 2-Ethylpentyl fluoroacetate, Fluoroacetic acid 2-ethylpentyl ester, ACETIC ACID, FLUORO-, 2-ETHYLPENTYL ESTER
Technical Specifications
| Molecular Formula | C9H17FO2 |
| Molecular Weight | 176.12126 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.12126 Da |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
| SMILES | CCCC(CC)COC(=O)CF |
| InChIKey | WCBSIOCKNZZQPC-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, fluoro-, 2-ethylpentyl ester
Property Insights of Acetic acid, fluoro-, 2-ethylpentyl ester
The XLogP value of 3.1 indicates that Acetic acid, fluoro-, 2-ethylpentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, fluoro-, 2-ethylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, fluoro-, 2-ethylpentyl ester 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
What is the CAS number of Acetic acid, fluoro-, 2-ethylpentyl ester?
The CAS number of Acetic acid, fluoro-, 2-ethylpentyl ester is 63905-87-3.
What is the molecular formula of Acetic acid, fluoro-, 2-ethylpentyl ester?
The molecular formula of Acetic acid, fluoro-, 2-ethylpentyl ester is C9H17FO2.
What is the molecular weight of Acetic acid, fluoro-, 2-ethylpentyl ester?
The molecular weight of Acetic acid, fluoro-, 2-ethylpentyl ester is 176.12126 g/mol.
Where can I buy Acetic acid, fluoro-, 2-ethylpentyl ester?
You can request a quote for Acetic acid, fluoro-, 2-ethylpentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, fluoro-, 2-ethylpentyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, fluoro-, 2-ethylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.