1-(difluoromethoxy)-4-iodobenzene

C7H5F2IO — CID 2737008

IUPAC1-(difluoromethoxy)-4-iodobenzene
SMILESFC(F)Oc1ccc(I)cc1
InChIInChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H
InChIKeyKBNPQVHJUYEJIZ-UHFFFAOYSA-N
MW270.02 g/mol
LogP2.89
Rot. Bonds2

About 1-(difluoromethoxy)-4-iodobenzene

1-(difluoromethoxy)-4-iodobenzene (PubChem CID 2737008) has the molecular formula C7H5F2IO and a molecular weight of 270.02 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-iodobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-iodobenzene
PubChem CID2737008
Molecular FormulaC7H5F2IO
Molecular Weight270.02 g/mol
Exact Mass269.94
IUPAC Name1-(difluoromethoxy)-4-iodobenzene
SMILESFC(F)Oc1ccc(I)cc1
InChIInChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H
InChIKeyKBNPQVHJUYEJIZ-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.02
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-iodobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-iodobenzene (CID 2737008) is 1-(difluoromethoxy)-4-iodobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-iodobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-iodobenzene is FC(F)Oc1ccc(I)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-iodobenzene?
The InChIKey is KBNPQVHJUYEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H.
What are the key properties of 1-(difluoromethoxy)-4-iodobenzene?
1-(difluoromethoxy)-4-iodobenzene has a molecular weight of 270.02 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-iodobenzene is sourced from PubChem (CID 2737008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).