1,2,3,5-tetrafluoro-4,6-diiodobenzene

C6F4I2 — CID 12543813

IUPAC1,2,3,5-tetrafluoro-4,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(I)c1F
InChIInChI=1S/C6F4I2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyFVJBAXUUZIEJCB-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.45
Rot. Bonds

About 1,2,3,5-tetrafluoro-4,6-diiodobenzene

1,2,3,5-tetrafluoro-4,6-diiodobenzene (PubChem CID 12543813) has the molecular formula C6F4I2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4,6-diiodobenzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4,6-diiodobenzene
PubChem CID12543813
Molecular FormulaC6F4I2
Molecular Weight401.87 g/mol
Exact Mass401.80
IUPAC Name1,2,3,5-tetrafluoro-4,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(I)c1F
InChIInChI=1S/C6F4I2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyFVJBAXUUZIEJCB-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4,6-diiodobenzene (CID 12543813) is 1,2,3,5-tetrafluoro-4,6-diiodobenzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4,6-diiodobenzene is Fc1c(F)c(I)c(F)c(I)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4,6-diiodobenzene?
The InChIKey is FVJBAXUUZIEJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4I2/c7-1-2(8)5(11)4(10)6(12)3(1)9.
What are the key properties of 1,2,3,5-tetrafluoro-4,6-diiodobenzene?
1,2,3,5-tetrafluoro-4,6-diiodobenzene has a molecular weight of 401.87 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4,6-diiodobenzene is sourced from PubChem (CID 12543813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).