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

C13H10BrFN2OS — CID 105222678

IUPAC[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1
InChIInChI=1S/C13H10BrFN2OS/c14-8-5-12(19-6-8)13(17-16)11-4-7-3-9(15)1-2-10(7)18-11/h1-6,13,17H,16H2
InChIKeyPDNZWHVQPIEUFJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.95
Rot. Bonds3

About [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine

[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105222678) has the molecular formula C13H10BrFN2OS and a molecular weight of 341.21 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105222678
Molecular FormulaC13H10BrFN2OS
Molecular Weight341.21 g/mol
Exact Mass339.97
IUPAC Name[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1
InChIInChI=1S/C13H10BrFN2OS/c14-8-5-12(19-6-8)13(17-16)11-4-7-3-9(15)1-2-10(7)18-11/h1-6,13,17H,16H2
InChIKeyPDNZWHVQPIEUFJ-UHFFFAOYSA-N
XLogP3.95
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114728766
[(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
[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105208817
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
[(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
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
[(5-fluoro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269568
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105222678) is [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cc(F)ccc2o1)c1cc(Br)cs1.
What is the InChIKey of [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is PDNZWHVQPIEUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2OS/c14-8-5-12(19-6-8)13(17-16)11-4-7-3-9(15)1-2-10(7)18-11/h1-6,13,17H,16H2.
What are the key properties of [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 341.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).