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2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3-dihydroisoindole (HCID 9840354)|Huagongshe
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Compound
2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3-dihydroisoindole
HCID
9840354
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
Fc1ccc(C2(CCCN3Cc4ccccc4C3)OCCO2)cc1
InChIKey
VIDUBYQATATWPE-UHFFFAOYSA-N
Molecular formula
C20H22FNO2
Average molar mass
327.4 g/mol
Names & identifiers
Preferred name
2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3-dihydroisoindole
IUPAC
2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1,3-dihydroisoindole
Names & synonyms
SCHEMBL7653024
PD129934
Database identifiers
PubChem CID
9840354
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
390
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
103386
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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