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2-[4,4-Bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol

HCID 15870892
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Basic information

Standard SMILES
Oc1cccc2c[n+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)ccc12
InChIKey
CIZCZPPSRLKKAN-UHFFFAOYSA-O
Molecular formula
C25H22F2NO+
Average molar mass
390.4 g/mol

Names & identifiers

Preferred name
2-[4,4-Bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol
IUPAC
2-[4,4-bis(4-fluorophenyl)butyl]isoquinolin-2-ium-5-ol

Database identifiers

PubChem CID
15870892

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
24.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Formal charge
1
Complexity
465

Related reactions

1 records
New reaction record
HRID 294693 reaction equation
HRID 294693As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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