[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine

C11H9Br2FN2O — CID 105309112

IUPAC[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1Br)c1occc1Br
InChIInChI=1S/C11H9Br2FN2O/c12-8-3-4-17-11(8)10(16-15)7-2-1-6(14)5-9(7)13/h1-5,10,16H,15H2
InChIKeyZPKZPACGRYBFNQ-UHFFFAOYSA-N
MW364.01 g/mol
LogP3.50
Rot. Bonds3

About [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine

[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine (PubChem CID 105309112) has the molecular formula C11H9Br2FN2O and a molecular weight of 364.01 g/mol. Its IUPAC name is [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
PubChem CID105309112
Molecular FormulaC11H9Br2FN2O
Molecular Weight364.01 g/mol
Exact Mass361.91
IUPAC Name[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1Br)c1occc1Br
InChIInChI=1S/C11H9Br2FN2O/c12-8-3-4-17-11(8)10(16-15)7-2-1-6(14)5-9(7)13/h1-5,10,16H,15H2
InChIKeyZPKZPACGRYBFNQ-UHFFFAOYSA-N
XLogP3.50
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine (CID 105309112) is [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine is NNC(c1ccc(F)cc1Br)c1occc1Br.
What is the InChIKey of [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine?
The InChIKey is ZPKZPACGRYBFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2FN2O/c12-8-3-4-17-11(8)10(16-15)7-2-1-6(14)5-9(7)13/h1-5,10,16H,15H2.
What are the key properties of [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine?
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine has a molecular weight of 364.01 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105309112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).