5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide

C9H6F2N2O2 — CID 10176708

IUPAC5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide
SMILESN/C(=N\O)c1cc2cc(F)c(F)cc2o1
InChIInChI=1S/C9H6F2N2O2/c10-5-1-4-2-8(9(12)13-14)15-7(4)3-6(5)11/h1-3,14H,(H2,12,13)
InChIKeyTYLNCZHRAHNAQM-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.81
Rot. Bonds1

About 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide

5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide (PubChem CID 10176708) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound Name5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide
PubChem CID10176708
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide
SMILESN/C(=N\O)c1cc2cc(F)c(F)cc2o1
InChIInChI=1S/C9H6F2N2O2/c10-5-1-4-2-8(9(12)13-14)15-7(4)3-6(5)11/h1-3,14H,(H2,12,13)
InChIKeyTYLNCZHRAHNAQM-UHFFFAOYSA-N
XLogP1.81
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide?
The IUPAC name of 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide (CID 10176708) is 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide.
What is the SMILES notation for 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide?
The canonical SMILES for 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide is N/C(=N\O)c1cc2cc(F)c(F)cc2o1.
What is the InChIKey of 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide?
The InChIKey is TYLNCZHRAHNAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-5-1-4-2-8(9(12)13-14)15-7(4)3-6(5)11/h1-3,14H,(H2,12,13).
What are the key properties of 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide?
5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide has a molecular weight of 212.16 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N'-hydroxy-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 10176708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).