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

C15H11Br2FN2O — CID 105338683

IUPAC[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2FN2O/c16-9-1-3-12(17)11(7-9)15(20-19)14-6-8-5-10(18)2-4-13(8)21-14/h1-7,15,20H,19H2
InChIKeyRVOXVAJRDODQAL-UHFFFAOYSA-N
MW414.07 g/mol
LogP4.65
Rot. Bonds3

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

[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338683) has the molecular formula C15H11Br2FN2O and a molecular weight of 414.07 g/mol. Its IUPAC name is [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338683
Molecular FormulaC15H11Br2FN2O
Molecular Weight414.07 g/mol
Exact Mass411.92
IUPAC Name[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2FN2O/c16-9-1-3-12(17)11(7-9)15(20-19)14-6-8-5-10(18)2-4-13(8)21-14/h1-7,15,20H,19H2
InChIKeyRVOXVAJRDODQAL-UHFFFAOYSA-N
XLogP4.65
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.07
LogP ≤ 54.65
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-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105208817
[(2,5-dibromophenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105301861
[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105222678
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
[(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
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105338683) is [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Br.
What is the InChIKey of [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is RVOXVAJRDODQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FN2O/c16-9-1-3-12(17)11(7-9)15(20-19)14-6-8-5-10(18)2-4-13(8)21-14/h1-7,15,20H,19H2.
What are the key properties of [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 414.07 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).