1,2-Dimethylbutyl 2,2,2-trifluoroacetate
TL;DR: 1,2-Dimethylbutyl 2,2,2-trifluoroacetate (CAS 155090-02-1) is a chemical compound with molecular formula C8H13F3O2 and molecular weight 198.08676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpentan-2-yl 2,2,2-trifluoroacetate
Also Known As: 3-Methylpentan-2-yl trifluoroacetate, 1,2-Dimethylbutyl 2,2,2-trifluoroacetate, 3-methylpentan-2-yl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-
Technical Specifications
| Molecular Formula | C8H13F3O2 |
| Molecular Weight | 198.08676 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.08676 Da |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
| SMILES | CCC(C)C(C)OC(=O)C(F)(F)F |
| InChIKey | SSJZIAKRAUGSQG-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate
Property Insights of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate
The XLogP value of 3.4 indicates that 1,2-Dimethylbutyl 2,2,2-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-Dimethylbutyl 2,2,2-trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethylbutyl 2,2,2-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
What is the CAS number of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate?
The CAS number of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate is 155090-02-1.
What is the molecular formula of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate?
The molecular formula of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate is C8H13F3O2.
What is the molecular weight of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate?
The molecular weight of 1,2-Dimethylbutyl 2,2,2-trifluoroacetate is 198.08676 g/mol.
Where can I buy 1,2-Dimethylbutyl 2,2,2-trifluoroacetate?
You can request a quote for 1,2-Dimethylbutyl 2,2,2-trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dimethylbutyl 2,2,2-trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for 1,2-Dimethylbutyl 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.