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1-Azetidin-3-ylmethyl-6-fluoro-1H-indole (HCID 21892095)|Huagongshe
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Compound
1-Azetidin-3-ylmethyl-6-fluoro-1H-indole
HCID
21892095
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Fc1ccc2ccn(CC3CNC3)c2c1
InChIKey
HCTKLZSYSRUZRN-UHFFFAOYSA-N
Molecular formula
C12H13FN2
Average molar mass
204.24 g/mol
Names & identifiers
Preferred name
1-Azetidin-3-ylmethyl-6-fluoro-1H-indole
IUPAC
1-(azetidin-3-ylmethyl)-6-fluoroindole
Names & synonyms
SCHEMBL4826353
HCTKLZSYSRUZRN-UHFFFAOYSA-N
1-Azetidin-3-ylmethyl-6-fluoro-1H-indole
Database identifiers
PubChem CID
21892095
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
17 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
230
Show all 8
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Related reactions
7 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
28486
As product
uspto-grants-2008_09
HRID
28487
As reactant
uspto-grants-2008_09
HRID
177375
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
720391
As product
uspto-grants-2006_11
HRID
720392
As reactant
uspto-grants-2006_11
HRID
2056380
As product
uspto-grants-2008_02
HRID
2056381
As reactant
uspto-grants-2008_02
Show 3 more
Compound notes
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