3-Fluoro-4-[(1E,3E)-5-oxo-1,3-pentadienyl]benzonitrile
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Basic information
- Standard SMILES
N#Cc1ccc(/C=C/C=C/C=O)c(F)c1- InChIKey
FSTVFPPFKAWOMS-ZPUQHVIOSA-N- Molecular formula
- C12H8FNO
- Average molar mass
- 201.2 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4-[(1E,3E)-5-oxo-1,3-pentadienyl]benzonitrile
- IUPAC
- 3-fluoro-4-[(1E,3E)-5-oxopenta-1,3-dienyl]benzonitrile
Names & synonyms
SCHEMBL46809943-Fluoro-4-[(1E,3E)-5-oxo-1,3-pentadienyl]benzonitrileFSTVFPPFKAWOMS-ZPUQHVIOSA-N3-fluoro-4-[(1E,3E)-5-oxo-1,3-pentadienyl]-benzonitrile
Database identifiers
- PubChem CID
- 10219852
- Nikkaji
- J1.614.913F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
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Related reactions
13 records
Compound notes
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