5-fluoro-1-benzofuran-2-carboximidamide

C9H7FN2O — CID 15434550

IUPAC5-fluoro-1-benzofuran-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C9H7FN2O/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
InChIKeyUIYZSMYTPGGFND-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.86
Rot. Bonds1

About 5-fluoro-1-benzofuran-2-carboximidamide

5-fluoro-1-benzofuran-2-carboximidamide (PubChem CID 15434550) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-fluoro-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound Name5-fluoro-1-benzofuran-2-carboximidamide
PubChem CID15434550
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-fluoro-1-benzofuran-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C9H7FN2O/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
InChIKeyUIYZSMYTPGGFND-UHFFFAOYSA-N
XLogP1.86
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-benzofuran-2-carboximidamide?
The IUPAC name of 5-fluoro-1-benzofuran-2-carboximidamide (CID 15434550) is 5-fluoro-1-benzofuran-2-carboximidamide.
What is the SMILES notation for 5-fluoro-1-benzofuran-2-carboximidamide?
The canonical SMILES for 5-fluoro-1-benzofuran-2-carboximidamide is [H]/N=C(\N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-1-benzofuran-2-carboximidamide?
The InChIKey is UIYZSMYTPGGFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H3,11,12).
What are the key properties of 5-fluoro-1-benzofuran-2-carboximidamide?
5-fluoro-1-benzofuran-2-carboximidamide has a molecular weight of 178.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 15434550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).