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bis(3-fluorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (HCID 70925809)|Huagongshe
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Compound
bis(3-fluorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
HCID
70925809
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C(NC1CN2CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1
InChIKey
NUWGKDYRKABNTJ-UHFFFAOYSA-N
Molecular formula
C21H22F2N2O2
Average molar mass
372.4 g/mol
Names & identifiers
Preferred name
bis(3-fluorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
IUPAC
bis(3-fluorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
Names & synonyms
SCHEMBL13516907
Database identifiers
PubChem CID
70925809
Properties
Computed structural properties
XLogP
4
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
490
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Related reactions
8 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
86455
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
209219
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
684884
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
799801
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
825158
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1220995
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1566152
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1568095
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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