[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine

C16H17FN2O — CID 105333920

IUPAC[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C16H17FN2O/c1-10-3-2-4-13(15(10)17)16(19-18)12-5-6-14-11(9-12)7-8-20-14/h2-6,9,16,19H,7-8,18H2,1H3
InChIKeyINUFLEMOTSNOOD-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.62
Rot. Bonds3

About [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine

[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine (PubChem CID 105333920) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
PubChem CID105333920
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C16H17FN2O/c1-10-3-2-4-13(15(10)17)16(19-18)12-5-6-14-11(9-12)7-8-20-14/h2-6,9,16,19H,7-8,18H2,1H3
InChIKeyINUFLEMOTSNOOD-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.62
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

5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]hydrazine
CID 105333859
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105219495
[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105333855
[(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105300300
[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 107981919
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
[2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204228
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine (CID 105333920) is [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2ccc3c(c2)CCO3)c1F.
What is the InChIKey of [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine?
The InChIKey is INUFLEMOTSNOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-3-2-4-13(15(10)17)16(19-18)12-5-6-14-11(9-12)7-8-20-14/h2-6,9,16,19H,7-8,18H2,1H3.
What are the key properties of [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine?
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine has a molecular weight of 272.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105333920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).