2-bromo-1,4-difluoro-3-iodobenzene

C6H2BrF2I — CID 50998401

IUPAC2-bromo-1,4-difluoro-3-iodobenzene
SMILESFc1ccc(F)c(I)c1Br
InChIInChI=1S/C6H2BrF2I/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
InChIKeyNIPLHDTUPBKEOX-UHFFFAOYSA-N
MW318.89 g/mol
LogP3.33
Rot. Bonds

About 2-bromo-1,4-difluoro-3-iodobenzene

2-bromo-1,4-difluoro-3-iodobenzene (PubChem CID 50998401) has the molecular formula C6H2BrF2I and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-bromo-1,4-difluoro-3-iodobenzene.

Molecular Properties

Compound Name2-bromo-1,4-difluoro-3-iodobenzene
PubChem CID50998401
Molecular FormulaC6H2BrF2I
Molecular Weight318.89 g/mol
Exact Mass317.84
IUPAC Name2-bromo-1,4-difluoro-3-iodobenzene
SMILESFc1ccc(F)c(I)c1Br
InChIInChI=1S/C6H2BrF2I/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
InChIKeyNIPLHDTUPBKEOX-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 53.33
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 2-bromo-1,4-difluoro-3-iodobenzene?
The IUPAC name of 2-bromo-1,4-difluoro-3-iodobenzene (CID 50998401) is 2-bromo-1,4-difluoro-3-iodobenzene.
What is the SMILES notation for 2-bromo-1,4-difluoro-3-iodobenzene?
The canonical SMILES for 2-bromo-1,4-difluoro-3-iodobenzene is Fc1ccc(F)c(I)c1Br.
What is the InChIKey of 2-bromo-1,4-difluoro-3-iodobenzene?
The InChIKey is NIPLHDTUPBKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2I/c7-5-3(8)1-2-4(9)6(5)10/h1-2H.
What are the key properties of 2-bromo-1,4-difluoro-3-iodobenzene?
2-bromo-1,4-difluoro-3-iodobenzene has a molecular weight of 318.89 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-difluoro-3-iodobenzene is sourced from PubChem (CID 50998401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).