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

C6HBr2ClFI — CID 50997847

IUPAC1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)c(Br)c1Cl
InChIInChI=1S/C6HBr2ClFI/c7-2-1-3(10)5(9)4(8)6(2)11/h1H
InChIKeyAYVATNGIOMYVCB-UHFFFAOYSA-N
MW414.24 g/mol
LogP4.61
Rot. Bonds

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

1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene (PubChem CID 50997847) has the molecular formula C6HBr2ClFI and a molecular weight of 414.24 g/mol. Its IUPAC name is 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene
PubChem CID50997847
Molecular FormulaC6HBr2ClFI
Molecular Weight414.24 g/mol
Exact Mass411.72
IUPAC Name1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)c(Br)c1Cl
InChIInChI=1S/C6HBr2ClFI/c7-2-1-3(10)5(9)4(8)6(2)11/h1H
InChIKeyAYVATNGIOMYVCB-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 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene?
The IUPAC name of 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene (CID 50997847) is 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene.
What is the SMILES notation for 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene?
The canonical SMILES for 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene is Fc1cc(Br)c(I)c(Br)c1Cl.
What is the InChIKey of 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene?
The InChIKey is AYVATNGIOMYVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClFI/c7-2-1-3(10)5(9)4(8)6(2)11/h1H.
What are the key properties of 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene?
1,3-dibromo-4-chloro-5-fluoro-2-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 1,3-dibromo-4-chloro-5-fluoro-2-iodobenzene is sourced from PubChem (CID 50997847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).