Hexafluoroisopropyl trifluoroacetate
TL;DR: Hexafluoroisopropyl trifluoroacetate (CAS 42031-15-2) is a chemical compound with molecular formula C5HF9O2 and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoropropan-2-yl 2,2,2-trifluoroacetate
Also Known As: Hexafluoroisopropyl trifluoroacetate, Sevoflurane Impurity 19, 2,4-Dimethoxynitrobenzene, 1,1,1,3,3,3-Hexafluoroisopropyl trifluoroacetate, Hexafluorisopropyltrifluoracetat
| Molecular Formula | C5HF9O2 |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.98328 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 42031-15-2 |
|---|---|
| SMILES | C(C(F)(F)F)(C(F)(F)F)OC(=O)C(F)(F)F |
| InChIKey | QFOKVELJLZLFMA-UHFFFAOYSA-N |
Product Overview
Hexafluoroisopropyl trifluoroacetate (CAS 42031-15-2), with molecular formula C5HF9O2 and molecular weight 263.98 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of Hexafluoroisopropyl trifluoroacetate
Property Insights of Hexafluoroisopropyl trifluoroacetate
The XLogP value of 3.5 indicates that Hexafluoroisopropyl trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexafluoroisopropyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexafluoroisopropyl trifluoroacetate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexafluoroisopropyl trifluoroacetate?
The CAS number of Hexafluoroisopropyl trifluoroacetate is 42031-15-2.
What is the molecular formula of Hexafluoroisopropyl trifluoroacetate?
The molecular formula of Hexafluoroisopropyl trifluoroacetate is C5HF9O2.
What is the molecular weight of Hexafluoroisopropyl trifluoroacetate?
The molecular weight of Hexafluoroisopropyl trifluoroacetate is 263.98 g/mol.
Where can I buy Hexafluoroisopropyl trifluoroacetate?
You can request a quote for Hexafluoroisopropyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexafluoroisopropyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexafluoroisopropyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.