7-Fluoro-2-propylquinolin-4(1H)-one
Basic information
- CAS
1070879-94-5- Standard SMILES
CCCc1cc(=O)c2ccc(F)cc2[nH]1- InChIKey
RKZVEMLFZPWBSU-UHFFFAOYSA-N- Molecular formula
- C12H12FNO
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.09029217
Names & identifiers
- Preferred name
- 7-Fluoro-2-propylquinolin-4(1H)-one
- IUPAC
- 7-fluoro-2-propyl-1H-quinolin-4-one
- English name
- 7-FLUORO-2-PROPYL-4-QUINOLINOL
- Molecular formula
- C12H12FNO
- Molecular weight
- 205.23
Names & synonyms
1070879-94-57-fluoro-2-propylquinolin-4-olDTXSID206537397-Fluoro-2-propylquinolin-4(1H)-one7-FLUORO-2-PROPYL-4-QUINOLINOL4-Quinolinol, 7-fluoro-2-propyl-7-Fluoro-4-hydroxy-2-propylquinoline
Database identifiers
- CAS
1070879-94-5- PubChem CID
- 39346189
- DTXSID
DTXSID20653739
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 336.6 · 336.6±37.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.40(Predicted)
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Compound notes
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