[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite

C8H9AsFNO5 — CID 174927143

IUPAC[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite
SMILESCC(=O)Nc1ccc([As](=O)(OO)OF)cc1
InChIInChI=1S/C8H9AsFNO5/c1-6(12)11-8-4-2-7(3-5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12)
InChIKeyRSKUKSXTNPQGRV-UHFFFAOYSA-N
MW293.08 g/mol
LogP0.61
Rot. Bonds4

About [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite

[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite (PubChem CID 174927143) has the molecular formula C8H9AsFNO5 and a molecular weight of 293.08 g/mol. Its IUPAC name is [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite.

Molecular Properties

Compound Name[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite
PubChem CID174927143
Molecular FormulaC8H9AsFNO5
Molecular Weight293.08 g/mol
Exact Mass292.97
IUPAC Name[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite
SMILESCC(=O)Nc1ccc([As](=O)(OO)OF)cc1
InChIInChI=1S/C8H9AsFNO5/c1-6(12)11-8-4-2-7(3-5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12)
InChIKeyRSKUKSXTNPQGRV-UHFFFAOYSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite?
The IUPAC name of [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite (CID 174927143) is [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite.
What is the SMILES notation for [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite?
The canonical SMILES for [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite is CC(=O)Nc1ccc([As](=O)(OO)OF)cc1.
What is the InChIKey of [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite?
The InChIKey is RSKUKSXTNPQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsFNO5/c1-6(12)11-8-4-2-7(3-5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12).
What are the key properties of [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite?
[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite has a molecular weight of 293.08 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite is sourced from PubChem (CID 174927143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).