[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine

C15H14BrFN2O — CID 105341826

IUPAC[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H14BrFN2O/c16-13-8-10(17)4-5-11(13)14(19-18)12-3-1-2-9-6-7-20-15(9)12/h1-5,8,14,19H,6-7,18H2
InChIKeyVFNQDBLVJABALN-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.08
Rot. Bonds3

About [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine

[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine (PubChem CID 105341826) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
PubChem CID105341826
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H14BrFN2O/c16-13-8-10(17)4-5-11(13)14(19-18)12-3-1-2-9-6-7-20-15(9)12/h1-5,8,14,19H,6-7,18H2
InChIKeyVFNQDBLVJABALN-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.08
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

[(4-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105281085
[(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105238803
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658
[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105222676
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
[2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204228
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105223225
[2,3-dihydro-1-benzofuran-7-yl(furan-3-yl)methyl]hydrazine
CID 105221476
[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]hydrazine
CID 105196662

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine (CID 105341826) is [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine is NNC(c1ccc(F)cc1Br)c1cccc2c1OCC2.
What is the InChIKey of [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
The InChIKey is VFNQDBLVJABALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-8-10(17)4-5-11(13)14(19-18)12-3-1-2-9-6-7-20-15(9)12/h1-5,8,14,19H,6-7,18H2.
What are the key properties of [(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine?
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine has a molecular weight of 337.19 g/mol, XLogP of 3.08, 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)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine is sourced from PubChem (CID 105341826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).