1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene

C6BrF4I — CID 13027703

IUPAC1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene
SMILESFc1c(F)c(Br)c(F)c(I)c1F
InChIInChI=1S/C6BrF4I/c7-1-2(8)4(10)5(11)6(12)3(1)9
InChIKeyKHHCTVMWDTZVFA-UHFFFAOYSA-N
MW354.87 g/mol
LogP3.61
Rot. Bonds

About 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene

1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene (PubChem CID 13027703) has the molecular formula C6BrF4I and a molecular weight of 354.87 g/mol. Its IUPAC name is 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene.

Molecular Properties

Compound Name1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene
PubChem CID13027703
Molecular FormulaC6BrF4I
Molecular Weight354.87 g/mol
Exact Mass353.82
IUPAC Name1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene
SMILESFc1c(F)c(Br)c(F)c(I)c1F
InChIInChI=1S/C6BrF4I/c7-1-2(8)4(10)5(11)6(12)3(1)9
InChIKeyKHHCTVMWDTZVFA-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 53.61
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-bromo-2,3,4,6-tetrafluoro-5-iodobenzene?
The IUPAC name of 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene (CID 13027703) is 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene.
What is the SMILES notation for 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene?
The canonical SMILES for 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene is Fc1c(F)c(Br)c(F)c(I)c1F.
What is the InChIKey of 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene?
The InChIKey is KHHCTVMWDTZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrF4I/c7-1-2(8)4(10)5(11)6(12)3(1)9.
What are the key properties of 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene?
1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene has a molecular weight of 354.87 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene is sourced from PubChem (CID 13027703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).