[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine

C15H12BrFN2O — CID 105208817

IUPAC[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1ccccc1Br
InChIInChI=1S/C15H12BrFN2O/c16-12-4-2-1-3-11(12)15(19-18)14-8-9-7-10(17)5-6-13(9)20-14/h1-8,15,19H,18H2
InChIKeyKHICGYUKNBCNMB-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.89
Rot. Bonds3

About [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine

[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105208817) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105208817
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1ccccc1Br
InChIInChI=1S/C15H12BrFN2O/c16-12-4-2-1-3-11(12)15(19-18)14-8-9-7-10(17)5-6-13(9)20-14/h1-8,15,19H,18H2
InChIKeyKHICGYUKNBCNMB-UHFFFAOYSA-N
XLogP3.89
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.89
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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Related Compounds

[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338716
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105222678
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
[1-benzofuran-2-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105218365

Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105208817) is [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cc(F)ccc2o1)c1ccccc1Br.
What is the InChIKey of [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is KHICGYUKNBCNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-12-4-2-1-3-11(12)15(19-18)14-8-9-7-10(17)5-6-13(9)20-14/h1-8,15,19H,18H2.
What are the key properties of [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 335.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105208817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).