N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine

C9H6FNO2 — CID 118049849

IUPACN-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc2oc(F)cc2c1
InChIInChI=1S/C9H6FNO2/c10-9-4-7-3-6(5-11-12)1-2-8(7)13-9/h1-5,12H
InChIKeyIHCNULIKIRMPPP-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.38
Rot. Bonds1

About N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine

N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine (PubChem CID 118049849) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine
PubChem CID118049849
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC NameN-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc2oc(F)cc2c1
InChIInChI=1S/C9H6FNO2/c10-9-4-7-3-6(5-11-12)1-2-8(7)13-9/h1-5,12H
InChIKeyIHCNULIKIRMPPP-UHFFFAOYSA-N
XLogP2.38
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine (CID 118049849) is N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine is ON=Cc1ccc2oc(F)cc2c1.
What is the InChIKey of N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine?
The InChIKey is IHCNULIKIRMPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-9-4-7-3-6(5-11-12)1-2-8(7)13-9/h1-5,12H.
What are the key properties of N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine?
N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine has a molecular weight of 179.15 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 118049849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).