氟乙酸(2-乙基己基)酯
TL;DR: 氟乙酸(2-乙基己基)酯 (CAS 331-87-3) is a chemical compound with molecular formula C10H19FO2 and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟乙酸(2-乙基己基)酯
2-ethylhexyl 2-fluoroacetate
Also Known As: 2-ethylhexyl 2-fluoroacetate, Fluoroacetic acid 2-ethylhexyl ester, 2-Ethylhexyl fluoroacetate, Phosphorsaeure-fluorid-bis-benzylamid, ACETIC ACID, FLUORO-, (2-ETHYLHEXYL) ESTER
| Molecular Formula | C10H19FO2 |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.1369 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 331-87-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CF |
| InChIKey | FDEKGWKFHSSZFD-UHFFFAOYSA-N |
Product Overview
氟乙酸(2-乙基己基)酯 (CAS 331-87-3), with molecular formula C10H19FO2 and molecular weight 190.14 g/mol. IUPAC: 2-ethylhexyl 2-fluoroacetate.
Chemical Property Profile of 氟乙酸(2-乙基己基)酯
Property Insights of 氟乙酸(2-乙基己基)酯
The XLogP value of 3.6 indicates that 氟乙酸(2-乙基己基)酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氟乙酸(2-乙基己基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟乙酸(2-乙基己基)酯 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 氟乙酸(2-乙基己基)酯?
The CAS number of 氟乙酸(2-乙基己基)酯 is 331-87-3.
What is the molecular formula of 氟乙酸(2-乙基己基)酯?
The molecular formula of 氟乙酸(2-乙基己基)酯 is C10H19FO2.
What is the molecular weight of 氟乙酸(2-乙基己基)酯?
The molecular weight of 氟乙酸(2-乙基己基)酯 is 190.14 g/mol.
Where can I buy 氟乙酸(2-乙基己基)酯?
You can request a quote for 氟乙酸(2-乙基己基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟乙酸(2-乙基己基)酯?
Yes, KEHONG BIO provides custom synthesis services for 氟乙酸(2-乙基己基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.