Isopropyl trifluoroacetate
TL;DR: Isopropyl trifluoroacetate (CAS 400-38-4) 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.
propan-2-yl 2,2,2-trifluoroacetate
Also Known As: Isopropyl trifluoroacetate, isopropyltrifluoroacetate, iso-propyl trifluoroacetate, propan-2-yl 2,2,2-trifluoroacetate, Isopropyl 2,2,2-trifluoroacetate
| Molecular Formula | C5H7F3O2 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03981 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 400-38-4 |
|---|---|
| SMILES | CC(C)OC(=O)C(F)(F)F |
| InChIKey | ASAXRKSDVDALDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl trifluoroacetate (CAS 400-38-4), with molecular formula C5H7F3O2 and molecular weight 156.04 g/mol. IUPAC: propan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of Isopropyl trifluoroacetate
Property Insights of Isopropyl trifluoroacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl trifluoroacetate?
The CAS number of Isopropyl trifluoroacetate is 400-38-4.
What is the molecular formula of Isopropyl trifluoroacetate?
The molecular formula of Isopropyl trifluoroacetate is C5H7F3O2.
What is the molecular weight of Isopropyl trifluoroacetate?
The molecular weight of Isopropyl trifluoroacetate is 156.04 g/mol.
Where can I buy Isopropyl trifluoroacetate?
You can request a quote for Isopropyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.