1,2-Dimethylpropyl trifluoroacetate
TL;DR: 1,2-Dimethylpropyl trifluoroacetate (CAS 691-75-8) is a chemical compound with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutan-2-yl 2,2,2-trifluoroacetate
Also Known As: 1,2-Dimethylpropyl trifluoroacetate, 2-Methyl-3-butyl trifluoroacetate, 3-methylbutan-2-yl 2,2,2-trifluoroacetate, Trifluoroacetic acid 1,2-dimethylpropyl ester
| Molecular Formula | C7H11F3O2 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07112 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 691-75-8 |
|---|---|
| SMILES | CC(C)C(C)OC(=O)C(F)(F)F |
| InChIKey | IHMOIZUAENUCFQ-UHFFFAOYSA-N |
Product Overview
1,2-Dimethylpropyl trifluoroacetate (CAS 691-75-8), with molecular formula C7H11F3O2 and molecular weight 184.07 g/mol. IUPAC: 3-methylbutan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of 1,2-Dimethylpropyl trifluoroacetate
Property Insights of 1,2-Dimethylpropyl trifluoroacetate
The XLogP value of 3.0 indicates that 1,2-Dimethylpropyl 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, 1,2-Dimethylpropyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethylpropyl 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 1,2-Dimethylpropyl trifluoroacetate?
The CAS number of 1,2-Dimethylpropyl trifluoroacetate is 691-75-8.
What is the molecular formula of 1,2-Dimethylpropyl trifluoroacetate?
The molecular formula of 1,2-Dimethylpropyl trifluoroacetate is C7H11F3O2.
What is the molecular weight of 1,2-Dimethylpropyl trifluoroacetate?
The molecular weight of 1,2-Dimethylpropyl trifluoroacetate is 184.07 g/mol.
Where can I buy 1,2-Dimethylpropyl trifluoroacetate?
You can request a quote for 1,2-Dimethylpropyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethylpropyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethylpropyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.