Pentan-2-yl trifluoroacetate
pentan-2-yl 2,2,2-trifluoroacetate
Also Known As: Pentan-2-yl trifluoroacetate|2-Pentanol, trifluoroacetate|1-Methylbutyl trifluoroacetate #|Trifluoroacetic acid, 2-pentyl ester|pentan-2-yl 2,2,2-trifluoroacetate|Acetic acid, 2,2,2-trifluoro-, 1-methylbutyl ester
CAS: 90991-71-2
| Molecular Formula | C7H11F3O2 |
|---|---|
| Molecular Weight | 184.07112 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07112 |
| Monoisotopic Mass | 184.07112 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 90991-71-2 |
|---|---|
| SMILES | CCCC(C)OC(=O)C(F)(F)F |
| InChIKey | HENNKZFOVKJQDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (1 patents)
Product Overview
Pentan-2-yl trifluoroacetate (CAS 90991-71-2), with molecular formula C7H11F3O2 and molecular weight 184.07112 g/mol. IUPAC: pentan-2-yl 2,2,2-trifluoroacetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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