5-(2,4-Dimethylphenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
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Basic information
- CAS
299919-37-2- Standard SMILES
Cc1ccc(C2=CC(=Cc3cccn3-c3ccccc3F)C(=O)O2)c(C)c1- InChIKey
UNFZDLRBTYHELA-UHFFFAOYSA-N- Molecular formula
- C23H18FNO2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13215698
Names & identifiers
- Preferred name
- 5-(2,4-Dimethylphenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
- IUPAC
- 5-(2,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
- English name
- 5-(2,4-dimethylphenyl)-3-{[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methylene}-2(3H)-furanone
- Molecular formula
- C23H18FNO2
- Molecular weight
- 359.39
Names & synonyms
5-(2,4-dimethylphenyl)-3-{[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methylidene}furan-2(3H)-one5-(2,4-dimethylphenyl)-3-{[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methylene}-2(3H)-furanone
Database identifiers
- CAS
299919-37-2- PubChem CID
- 1038381
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Boiling point
- 579.973 · 579.973±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -8.079 · -8.079±0.70(predicted)
Related reactions
0 records
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Compound notes
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