1-Benzyl-5-fluoro-1H-indole

HCID 19796639

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc2c(ccn2Cc2ccccc2)c1
InChIKey: QZIAUKPDFYALKI-UHFFFAOYSA-N
Molecular formula: C15H12FN
Average molar mass: 225.26 g/mol
Monoisotopic mass: 225.09537755

Names & identifiers

Preferred name: 1-Benzyl-5-fluoro-1H-indole
IUPAC: 1-benzyl-5-fluoroindole

Names & synonyms

1-Benzyl-5-fluoro-1H-indole838-30-21-benzyl-5-fluoroindoleSCHEMBL2117187SCHEMBL9584191QZIAUKPDFYALKI-UHFFFAOYSA-NAKOS013163561HS-7689

Database identifiers

PubChem CID: 19796639
Nikkaji: J3.188.336I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Related reactions

7 records

New reaction record

HRID 5601 reaction equation

HRID 5601As productuspto-grants-1993_09

HRID 355159 reaction equation

HRID 355159As reactantuspto-grants-1983_03

HRID 544781 reaction equation

HRID 544781As reactantuspto-grants-1984_05

HRID 616792 reaction equation

HRID 616792As reactantuspto-grants-1978_02

HRID 1124201 reaction equation

HRID 1124201As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1632889 reaction equation

HRID 1632889As reactantuspto-grants-1984_10

HRID 1680788 reaction equation

HRID 1680788As reactantuspto-grants-1981_06

Linked notes

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