Basic information
- CAS
119596-14-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(F)(F)F- InChIKey
COZIUYRFYCGXCL-UHFFFAOYSA-N- Molecular formula
- C18H33F3O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.24326478
Names & identifiers
- Preferred name
- Hexadecanoic acid, 2,2,2-trifluoroethyl ester
- IUPAC
- 2,2,2-trifluoroethyl hexadecanoate
Names & synonyms
Hexadecanoic acid, 2,2,2-trifluoroethyl ester119596-14-42,2,2-Trifluoroethyl palmitate2,2,2-trifluoroethyl hexadecanoateHexadecanoic acid, TFESCHEMBL21257703DTXSID303367882,2,2-Trifluoroethyl palmitate #
Database identifiers
- CAS
119596-14-4- PubChem CID
- 536360
- DTXSID
DTXSID30336788
Properties
Computed structural properties
- XLogP
- 8.6
- 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
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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