1-(3-Bromo-5-fluorophenyl)piperazine

HCID 11470921

Notes Reactions

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Basic information

Standard SMILES: Fc1cc(Br)cc(N2CCNCC2)c1
InChIKey: ZROPTBSVNJFTLR-UHFFFAOYSA-N
Molecular formula: C10H12BrFN2
Average molar mass: 259.12 g/mol

Names & identifiers

Preferred name: 1-(3-Bromo-5-fluorophenyl)piperazine
IUPAC: 1-(3-bromo-5-fluorophenyl)piperazine

Names & synonyms

1-(3-bromo-5-fluorophenyl)piperazine852807-43-3SCHEMBL3753695ZROPTBSVNJFTLR-UHFFFAOYSA-NGS1583MFCD26657760l-(3-bromo-5-fluorophenyl)piperazineSY491449EN300-1911559

Database identifiers

PubChem CID: 11470921

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 185

Related reactions

3 records

New reaction record

HRID 40754As reactantuspto-grants-2013_09

HRID 664949As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1473867As reactantuspto-grants-2015_04

Compound notes

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