N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine

C9H7F2NO2 — CID 117288181

IUPACN-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESONCc1c(F)cc(F)c2ccoc12
InChIInChI=1S/C9H7F2NO2/c10-7-3-8(11)6(4-12-13)9-5(7)1-2-14-9/h1-3,12-13H,4H2
InChIKeyVHIIPXQRTCHJLB-UHFFFAOYSA-N
MW199.16 g/mol
LogP2.19
Rot. Bonds2

About N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine

N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine (PubChem CID 117288181) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine
PubChem CID117288181
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC NameN-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine
SMILESONCc1c(F)cc(F)c2ccoc12
InChIInChI=1S/C9H7F2NO2/c10-7-3-8(11)6(4-12-13)9-5(7)1-2-14-9/h1-3,12-13H,4H2
InChIKeyVHIIPXQRTCHJLB-UHFFFAOYSA-N
XLogP2.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine (CID 117288181) is N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine is ONCc1c(F)cc(F)c2ccoc12.
What is the InChIKey of N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
The InChIKey is VHIIPXQRTCHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-7-3-8(11)6(4-12-13)9-5(7)1-2-14-9/h1-3,12-13H,4H2.
What are the key properties of N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine?
N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine has a molecular weight of 199.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-difluoro-1-benzofuran-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117288181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).