1,2-difluoro-4-iodobenzene

C6H3F2I — CID 2724444

IUPAC1,2-difluoro-4-iodobenzene
SMILESFc1ccc(I)cc1F
InChIInChI=1S/C6H3F2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKeyKSASJELKLBIMSG-UHFFFAOYSA-N
MW239.99 g/mol
LogP2.57
Rot. Bonds

About 1,2-difluoro-4-iodobenzene

1,2-difluoro-4-iodobenzene (PubChem CID 2724444) has the molecular formula C6H3F2I and a molecular weight of 239.99 g/mol. Its IUPAC name is 1,2-difluoro-4-iodobenzene.

Molecular Properties

Compound Name1,2-difluoro-4-iodobenzene
PubChem CID2724444
Molecular FormulaC6H3F2I
Molecular Weight239.99 g/mol
Exact Mass239.92
IUPAC Name1,2-difluoro-4-iodobenzene
SMILESFc1ccc(I)cc1F
InChIInChI=1S/C6H3F2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKeyKSASJELKLBIMSG-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.99
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Fluorobenzene
CID 10008
Iodobenzene
CID 11575
1,3-Difluorobenzene
CID 9741
Iodosylbenzene
CID 92125
Pentafluorobenzene
CID 9696
1,4-Difluorobenzene
CID 10892
4-Fluoroiodobenzene
CID 9605
1-Fluoro-3-iodobenzene
CID 70725
1,2-Diiodobenzene
CID 11994
p-Diiodobenzene
CID 12208
1,2-Difluorobenzene
CID 9706
Iodylbenzene
CID 101840

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-iodobenzene?
The IUPAC name of 1,2-difluoro-4-iodobenzene (CID 2724444) is 1,2-difluoro-4-iodobenzene.
What is the SMILES notation for 1,2-difluoro-4-iodobenzene?
The canonical SMILES for 1,2-difluoro-4-iodobenzene is Fc1ccc(I)cc1F.
What is the InChIKey of 1,2-difluoro-4-iodobenzene?
The InChIKey is KSASJELKLBIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2I/c7-5-2-1-4(9)3-6(5)8/h1-3H.
What are the key properties of 1,2-difluoro-4-iodobenzene?
1,2-difluoro-4-iodobenzene has a molecular weight of 239.99 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-iodobenzene is sourced from PubChem (CID 2724444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).