N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine

C9H8FNO2 — CID 117278576

IUPACN-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESONCc1c(F)ccc2ccoc12
InChIInChI=1S/C9H8FNO2/c10-8-2-1-6-3-4-13-9(6)7(8)5-11-12/h1-4,11-12H,5H2
InChIKeyVJBLSAYXLHYHQL-UHFFFAOYSA-N
MW181.17 g/mol
LogP2.05
Rot. Bonds2

About N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine

N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine (PubChem CID 117278576) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine
PubChem CID117278576
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC NameN-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESONCc1c(F)ccc2ccoc12
InChIInChI=1S/C9H8FNO2/c10-8-2-1-6-3-4-13-9(6)7(8)5-11-12/h1-4,11-12H,5H2
InChIKeyVJBLSAYXLHYHQL-UHFFFAOYSA-N
XLogP2.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine
CID 117288181
6-fluoro-1-benzofuran-7-ol
CID 164580528
6-fluoro-7-(isocyanatomethyl)-1-benzofuran
CID 117282115
7-bromo-6-fluoro-1-benzofuran
CID 22144929
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319085
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
CID 117283511
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117321227
7-bromo-1-benzofuran-6-ol
CID 83681550
N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine
CID 117303638

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine (CID 117278576) is N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine is ONCc1c(F)ccc2ccoc12.
What is the InChIKey of N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The InChIKey is VJBLSAYXLHYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-8-2-1-6-3-4-13-9(6)7(8)5-11-12/h1-4,11-12H,5H2.
What are the key properties of N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine has a molecular weight of 181.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117278576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).