[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine

C16H19FN2O — CID 105339280

IUPAC[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(F)c2o1)C1C2CCCCC21
InChIInChI=1S/C16H19FN2O/c17-12-7-3-4-9-8-13(20-16(9)12)15(19-18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,19H,1-2,5-6,18H2
InChIKeyVVGZZTKGZXCALP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.51
Rot. Bonds3

About [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine

[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105339280) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105339280
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(F)c2o1)C1C2CCCCC21
InChIInChI=1S/C16H19FN2O/c17-12-7-3-4-9-8-13(20-16(9)12)15(19-18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,19H,1-2,5-6,18H2
InChIKeyVVGZZTKGZXCALP-UHFFFAOYSA-N
XLogP3.51
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.51
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

[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
[(7-fluoro-1-benzofuran-2-yl)-(oxan-2-yl)methyl]hydrazine
CID 105339231
[(7-fluoro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]hydrazine
CID 105229222
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
[(7-fluoro-1-benzofuran-2-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253565
[6-bicyclo[3.1.0]hexanyl-(2,3-difluorophenyl)methyl]hydrazine
CID 105309382
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
CID 105304990
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 105339280) is [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cccc(F)c2o1)C1C2CCCCC21.
What is the InChIKey of [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is VVGZZTKGZXCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-12-7-3-4-9-8-13(20-16(9)12)15(19-18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,19H,1-2,5-6,18H2.
What are the key properties of [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 274.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.1.0]heptanyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105339280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).