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6-Fluoro-2'-oxo-1,2'-dihydrospiro[1-benzofuran-3,3'-indole]-5-carbonitrile

HCID 59352271
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cc2c(cc1F)OCC21C(=O)Nc2ccccc21
InChIKey
QRAXIJPUQOPSFM-UHFFFAOYSA-N
Molecular formula
C16H9FN2O2
Average molar mass
280.25 g/mol

Names & identifiers

Preferred name
6-Fluoro-2'-oxo-1,2'-dihydrospiro[1-benzofuran-3,3'-indole]-5-carbonitrile
IUPAC
6'-fluoro-2-oxospiro[1H-indole-3,3'-2H-1-benzofuran]-5'-carbonitrile

Names & synonyms

SCHEMBL2308663QRAXIJPUQOPSFM-UHFFFAOYSA-N6-fluoro-2'-oxo-1',2'-dihydrospiro[1-benzofuran-3,3'-indole]-5-carbonitrile6-fluoro-2'-oxo-1,2'-dihydrospiro[1-benzofuran-3,3'-indole]-5-carbonitrile

Database identifiers

PubChem CID
59352271

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
21
Formal charge
0
Complexity
516

Related reactions

16 records
New reaction record
HRID 301565 reaction equation
HRID 301565As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1212849 reaction equation
HRID 1212849As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1407633 reaction equation
HRID 1407633As productuspto-grants-2014_12
HRID 1407791 reaction equation
HRID 1407791As reactantuspto-grants-2014_12
HRID 1407792 reaction equation
HRID 1407792As reactantuspto-grants-2014_12
HRID 1407793 reaction equation
HRID 1407793As reactantuspto-grants-2014_12
HRID 1407794 reaction equation
HRID 1407794As reactantuspto-grants-2014_12
HRID 1566088 reaction equation
HRID 1566088As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes

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