Hexyl trifluoroacetate
hexyl 2,2,2-trifluoroacetate
Also Known As: Hexyl trifluoroacetate|hexyl 2,2,2-trifluoroacetate|1-Hexanol, trifluoroacetate|Trifluoroacetic acid, n-hexyl ester|Trifluoroacetic acid hexyl ester|Acetic acid, trifluoro-, hexyl ester
CAS: 400-61-3
| Molecular Formula | C8H13F3O2 |
|---|---|
| Molecular Weight | 198.08676 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.08676 |
| Monoisotopic Mass | 198.08676 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 400-61-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C(F)(F)F |
| InChIKey | DTTIQEHOYLOWDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (6 patents)
Heterocyclic Building Blocks (7 patents)
Organic Building Blocks (3 patents)
Organometallic Reagents (1 patents)
Pharmaceutical Intermediates (3 patents)
Specialty Chemicals (2 patents)
Product Overview
Hexyl trifluoroacetate (CAS 400-61-3), with molecular formula C8H13F3O2 and molecular weight 198.08676 g/mol. IUPAC: hexyl 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.
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