Trifluoroacetoxy hexadecane
Basic information
- CAS
6222-03-3- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)C(F)(F)F- InChIKey
WAGHSYZLKZJUQC-UHFFFAOYSA-N- Molecular formula
- C18H33F3O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.24326478
Names & identifiers
- Preferred name
- Trifluoroacetoxy hexadecane
- IUPAC
- hexadecyl 2,2,2-trifluoroacetate
Names & synonyms
Trifluoroacetoxy hexadecaneHexadecyl trifluoroacetateAcetic acid, trifluoro-, hexadecyl esterhexadecyl 2,2,2-trifluoroacetate1-Trifluoroacetoxyhexadecane1-Hexadecanol, trifluoroacetateSCHEMBL4765360DTXSID7013668926222-03-3Acetic acid, 2,2,2-trifluoro-, hexadecyl ester
Database identifiers
- CAS
6222-03-3- PubChem CID
- 522035
- DTXSID
DTXSID701366892
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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