1-arsoroso-3,4-difluoro-2-iodobenzene

C6H2AsF2IO — CID 172524647

IUPAC1-arsoroso-3,4-difluoro-2-iodobenzene
SMILESO=[As]c1ccc(F)c(F)c1I
InChIInChI=1S/C6H2AsF2IO/c8-4-2-1-3(7-11)6(10)5(4)9/h1-2H
InChIKeyYLFXEXGYWLIRIW-UHFFFAOYSA-N
MW329.90 g/mol
LogP1.24
Rot. Bonds1

About 1-arsoroso-3,4-difluoro-2-iodobenzene

1-arsoroso-3,4-difluoro-2-iodobenzene (PubChem CID 172524647) has the molecular formula C6H2AsF2IO and a molecular weight of 329.90 g/mol. Its IUPAC name is 1-arsoroso-3,4-difluoro-2-iodobenzene.

Molecular Properties

Compound Name1-arsoroso-3,4-difluoro-2-iodobenzene
PubChem CID172524647
Molecular FormulaC6H2AsF2IO
Molecular Weight329.90 g/mol
Exact Mass329.83
IUPAC Name1-arsoroso-3,4-difluoro-2-iodobenzene
SMILESO=[As]c1ccc(F)c(F)c1I
InChIInChI=1S/C6H2AsF2IO/c8-4-2-1-3(7-11)6(10)5(4)9/h1-2H
InChIKeyYLFXEXGYWLIRIW-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-arsoroso-3,4-difluoro-2-iodobenzene?
The IUPAC name of 1-arsoroso-3,4-difluoro-2-iodobenzene (CID 172524647) is 1-arsoroso-3,4-difluoro-2-iodobenzene.
What is the SMILES notation for 1-arsoroso-3,4-difluoro-2-iodobenzene?
The canonical SMILES for 1-arsoroso-3,4-difluoro-2-iodobenzene is O=[As]c1ccc(F)c(F)c1I.
What is the InChIKey of 1-arsoroso-3,4-difluoro-2-iodobenzene?
The InChIKey is YLFXEXGYWLIRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2AsF2IO/c8-4-2-1-3(7-11)6(10)5(4)9/h1-2H.
What are the key properties of 1-arsoroso-3,4-difluoro-2-iodobenzene?
1-arsoroso-3,4-difluoro-2-iodobenzene has a molecular weight of 329.90 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-arsoroso-3,4-difluoro-2-iodobenzene is sourced from PubChem (CID 172524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).