1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene

C6HBr2ClFI — CID 171367774

IUPAC1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene
SMILESFc1c(Cl)c(Br)cc(Br)c1I
InChIInChI=1S/C6HBr2ClFI/c7-2-1-3(8)6(11)5(10)4(2)9/h1H
InChIKeyRKUCTQCBRAZCDA-UHFFFAOYSA-N
MW414.24 g/mol
LogP4.61
Rot. Bonds

About 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene

1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene (PubChem CID 171367774) has the molecular formula C6HBr2ClFI and a molecular weight of 414.24 g/mol. Its IUPAC name is 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene
PubChem CID171367774
Molecular FormulaC6HBr2ClFI
Molecular Weight414.24 g/mol
Exact Mass411.72
IUPAC Name1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene
SMILESFc1c(Cl)c(Br)cc(Br)c1I
InChIInChI=1S/C6HBr2ClFI/c7-2-1-3(8)6(11)5(10)4(2)9/h1H
InChIKeyRKUCTQCBRAZCDA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 54.61
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 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene?
The IUPAC name of 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene (CID 171367774) is 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene.
What is the SMILES notation for 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene?
The canonical SMILES for 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene is Fc1c(Cl)c(Br)cc(Br)c1I.
What is the InChIKey of 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene?
The InChIKey is RKUCTQCBRAZCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClFI/c7-2-1-3(8)6(11)5(10)4(2)9/h1H.
What are the key properties of 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene?
1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene has a molecular weight of 414.24 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-chloro-3-fluoro-4-iodobenzene is sourced from PubChem (CID 171367774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).