Propyl trifluoroacetate
TL;DR: Propyl trifluoroacetate (CAS 383-66-4) is a chemical compound with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,2,2-trifluoroacetate
Also Known As: Propyl trifluoroacetate, propyl 2,2,2-trifluoroacetate, 1-(trifluoroacetoxy)propane, CF3C(O)O(CH2)2CH3, Acetic acid, trifluoro-, propyl ester
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 383-66-4 |
|---|---|
| SMILES | CCCOC(=O)C(F)(F)F |
| InChIKey | CDXJNCAVPFGVNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl trifluoroacetate (CAS 383-66-4), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: propyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Propyl trifluoroacetate
Property Insights of Propyl trifluoroacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl trifluoroacetate has 0 hydrogen bond donor(s) and 5 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 trifluoroacetate?
The CAS number of Propyl trifluoroacetate is 383-66-4.
What is the molecular formula of Propyl trifluoroacetate?
The molecular formula of Propyl trifluoroacetate is C5H7F3O2.
What is the molecular weight of Propyl trifluoroacetate?
The molecular weight of Propyl trifluoroacetate is 156.04 g/mol.
Where can I buy Propyl trifluoroacetate?
You can request a quote for Propyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.