1-bromo-3-chloro-4,5-difluoro-2-iodobenzene

C6HBrClF2I — CID 53256791

IUPAC1-bromo-3-chloro-4,5-difluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)c(Cl)c1F
InChIInChI=1S/C6HBrClF2I/c7-2-1-3(9)5(10)4(8)6(2)11/h1H
InChIKeyXAEHFYXORJEKAQ-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.99
Rot. Bonds

About 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene

1-bromo-3-chloro-4,5-difluoro-2-iodobenzene (PubChem CID 53256791) has the molecular formula C6HBrClF2I and a molecular weight of 353.33 g/mol. Its IUPAC name is 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-4,5-difluoro-2-iodobenzene
PubChem CID53256791
Molecular FormulaC6HBrClF2I
Molecular Weight353.33 g/mol
Exact Mass351.80
IUPAC Name1-bromo-3-chloro-4,5-difluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)c(Cl)c1F
InChIInChI=1S/C6HBrClF2I/c7-2-1-3(9)5(10)4(8)6(2)11/h1H
InChIKeyXAEHFYXORJEKAQ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.99
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-3-chloro-4,5-difluoro-2-iodobenzene?
The IUPAC name of 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene (CID 53256791) is 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene.
What is the SMILES notation for 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene?
The canonical SMILES for 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene is Fc1cc(Br)c(I)c(Cl)c1F.
What is the InChIKey of 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene?
The InChIKey is XAEHFYXORJEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrClF2I/c7-2-1-3(9)5(10)4(8)6(2)11/h1H.
What are the key properties of 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene?
1-bromo-3-chloro-4,5-difluoro-2-iodobenzene has a molecular weight of 353.33 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-4,5-difluoro-2-iodobenzene is sourced from PubChem (CID 53256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).