2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene

C7H4Br2FI — CID 131332707

IUPAC2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
SMILESFc1cc(I)c(Br)c(CBr)c1
InChIInChI=1S/C7H4Br2FI/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2H,3H2
InChIKeyMEZJEQMDOMSRBL-UHFFFAOYSA-N
MW393.82 g/mol
LogP4.09
Rot. Bonds1

About 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene

2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene (PubChem CID 131332707) has the molecular formula C7H4Br2FI and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene.

Molecular Properties

Compound Name2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
PubChem CID131332707
Molecular FormulaC7H4Br2FI
Molecular Weight393.82 g/mol
Exact Mass391.77
IUPAC Name2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
SMILESFc1cc(I)c(Br)c(CBr)c1
InChIInChI=1S/C7H4Br2FI/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2H,3H2
InChIKeyMEZJEQMDOMSRBL-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-(bromomethyl)-5-fluoro-3-iodobenzene?
The IUPAC name of 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene (CID 131332707) is 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene.
What is the SMILES notation for 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene?
The canonical SMILES for 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene is Fc1cc(I)c(Br)c(CBr)c1.
What is the InChIKey of 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene?
The InChIKey is MEZJEQMDOMSRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2FI/c8-3-4-1-5(10)2-6(11)7(4)9/h1-2H,3H2.
What are the key properties of 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene?
2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene has a molecular weight of 393.82 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene is sourced from PubChem (CID 131332707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).