Propyl 2-fluoroacetate
TL;DR: Propyl 2-fluoroacetate (CAS 10117-11-0) is a chemical compound with molecular formula C5H9FO2 and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-fluoroacetate
Also Known As: propyl 2-fluoroacetate, propyl fluoroacetate, n-Propyl fluoroacetate, 3-Fluoropropyl acetate, ACETIC ACID, FLUORO-, PROPYL ESTER
| Molecular Formula | C5H9FO2 |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 120.058655 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 10117-11-0 |
|---|---|
| SMILES | CCCOC(=O)CF |
| InChIKey | IRWIXUQVVIFUPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-fluoroacetate (CAS 10117-11-0), with molecular formula C5H9FO2 and molecular weight 120.06 g/mol. IUPAC: propyl 2-fluoroacetate.
Chemical Property Profile of Propyl 2-fluoroacetate
Property Insights of Propyl 2-fluoroacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-fluoroacetate 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 Propyl 2-fluoroacetate?
The CAS number of Propyl 2-fluoroacetate is 10117-11-0.
What is the molecular formula of Propyl 2-fluoroacetate?
The molecular formula of Propyl 2-fluoroacetate is C5H9FO2.
What is the molecular weight of Propyl 2-fluoroacetate?
The molecular weight of Propyl 2-fluoroacetate is 120.06 g/mol.
Where can I buy Propyl 2-fluoroacetate?
You can request a quote for Propyl 2-fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.