1,1,1-Trifluorohenicosane-2,4-dione
Basic information
- CAS
81944-91-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)C(F)(F)F- InChIKey
ZTJSIHRVPMUYDO-UHFFFAOYSA-N- Molecular formula
- C21H37F3O2
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.2745649
Names & identifiers
- Preferred name
- 1,1,1-Trifluorohenicosane-2,4-dione
- IUPAC
- 1,1,1-trifluorohenicosane-2,4-dione
Names & synonyms
81944-91-41,1,1-trifluorohenicosane-2,4-dioneNSC328779SCHEMBL11214076DTXSID60330890NSC-328779
Database identifiers
- CAS
81944-91-4- PubChem CID
- 433379
- DTXSID
DTXSID60330890
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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