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3,3-Bis(4-fluorophenyl)pyrrolidin-2-one (HCID 67358565)|Huagongshe
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Compound
3,3-Bis(4-fluorophenyl)pyrrolidin-2-one
HCID
67358565
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C1NCCC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey
TYDUIHCCWSOBJT-UHFFFAOYSA-N
Molecular formula
C16H13F2NO
Average molar mass
273.28 g/mol
Monoisotopic mass
273.09652036
Names & identifiers
Preferred name
3,3-Bis(4-fluorophenyl)pyrrolidin-2-one
IUPAC
3,3-bis(4-fluorophenyl)pyrrolidin-2-one
Names & synonyms
SCHEMBL2309479
TYDUIHCCWSOBJT-UHFFFAOYSA-N
3,3-bis(4-fluorophenyl)pyrrolidin-2-one
Database identifiers
PubChem CID
67358565
Properties
Computed structural properties
XLogP
3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
335
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Related reactions
10 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
202662
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
811730
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1567115
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1667121
As product
uspto-grants-2011_10
HRID
1667122
As reactant
uspto-grants-2011_10
HRID
1667130
As reactant
uspto-grants-2011_10
HRID
1667239
As reactant
uspto-grants-2011_10
HRID
2155587
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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