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

C15H11BrF2N2O — CID 105338716

IUPAC[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1Br
InChIInChI=1S/C15H11BrF2N2O/c16-12-3-1-10(18)7-11(12)15(20-19)14-6-8-5-9(17)2-4-13(8)21-14/h1-7,15,20H,19H2
InChIKeyHTBIFVXNXMLWDM-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.03
Rot. Bonds3

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

[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338716) has the molecular formula C15H11BrF2N2O and a molecular weight of 353.17 g/mol. Its IUPAC name is [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338716
Molecular FormulaC15H11BrF2N2O
Molecular Weight353.17 g/mol
Exact Mass352.00
IUPAC Name[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1Br
InChIInChI=1S/C15H11BrF2N2O/c16-12-3-1-10(18)7-11(12)15(20-19)14-6-8-5-9(17)2-4-13(8)21-14/h1-7,15,20H,19H2
InChIKeyHTBIFVXNXMLWDM-UHFFFAOYSA-N
XLogP4.03
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.03
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

[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683
[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105208817
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
[(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
[(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-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105338716) is [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1Br.
What is the InChIKey of [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is HTBIFVXNXMLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O/c16-12-3-1-10(18)7-11(12)15(20-19)14-6-8-5-9(17)2-4-13(8)21-14/h1-7,15,20H,19H2.
What are the key properties of [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 353.17 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).