5-(6,6,7,7,7-Pentafluoro-5-oxoheptyl)furan-2-carbaldehyde
Basic information
- Standard SMILES
O=Cc1ccc(CCCCC(=O)C(F)(F)C(F)(F)F)o1- InChIKey
HNZKMLHLMMIQIQ-UHFFFAOYSA-N- Molecular formula
- C12H11F5O3
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.06283502
Names & identifiers
- Preferred name
- 5-(6,6,7,7,7-Pentafluoro-5-oxoheptyl)furan-2-carbaldehyde
- IUPAC
- 5-(6,6,7,7,7-pentafluoro-5-oxoheptyl)furan-2-carbaldehyde
Names & synonyms
CHEMBL1098061DTXSID8013678055-(6,6,7,7,7-pentafluoro-5-oxoheptyl)furan-2-carbaldehyde
Database identifiers
- PubChem CID
- 46222016
- DTXSID
DTXSID801367805- ChEMBL
CHEMBL1098061
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
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Related reactions
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Compound notes
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