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6-(2-Fluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (HCID 69077329)|Huagongshe
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Compound
6-(2-Fluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
HCID
69077329
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=C1CCCC2CCCC(c3ccccc3F)N12
InChIKey
MNRKTPSHPXUFCT-UHFFFAOYSA-N
Molecular formula
C15H18FNO
Average molar mass
247.31 g/mol
Names & identifiers
Preferred name
6-(2-Fluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
IUPAC
6-(2-fluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
Names & synonyms
SCHEMBL4521089
Database identifiers
PubChem CID
69077329
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
320
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
702797
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
939044
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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