Isobutyl trifluoroacetate
TL;DR: Isobutyl trifluoroacetate (CAS 17355-83-8) is a chemical compound with molecular formula C6H9F3O2 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2,2,2-trifluoroacetate
Also Known As: Isobutyl trifluoroacetate, Isobutyl trifluroacetate, 2-methylpropyl trifluoroacetate, 2-methylpropyl 2,2,2-trifluoroacetate, Trifluoroacetic acid, 2-methylpropyl ester
| Molecular Formula | C6H9F3O2 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.05547 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 17355-83-8 |
|---|---|
| SMILES | CC(C)COC(=O)C(F)(F)F |
| InChIKey | JNDIDDMPBOLGER-UHFFFAOYSA-N |
Product Overview
Isobutyl trifluoroacetate (CAS 17355-83-8), with molecular formula C6H9F3O2 and molecular weight 170.06 g/mol. IUPAC: 2-methylpropyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Isobutyl trifluoroacetate
Property Insights of Isobutyl trifluoroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl trifluoroacetate?
The CAS number of Isobutyl trifluoroacetate is 17355-83-8.
What is the molecular formula of Isobutyl trifluoroacetate?
The molecular formula of Isobutyl trifluoroacetate is C6H9F3O2.
What is the molecular weight of Isobutyl trifluoroacetate?
The molecular weight of Isobutyl trifluoroacetate is 170.06 g/mol.
Where can I buy Isobutyl trifluoroacetate?
You can request a quote for Isobutyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.