[bromo(diiodo)methyl]benzene

C7H5BrI2 — CID 152582923

IUPAC[bromo(diiodo)methyl]benzene
SMILESBrC(I)(I)c1ccccc1
InChIInChI=1S/C7H5BrI2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyYTVXHQDSXLDSPT-UHFFFAOYSA-N
MW422.83 g/mol
LogP4.06
Rot. Bonds1

About [bromo(diiodo)methyl]benzene

[bromo(diiodo)methyl]benzene (PubChem CID 152582923) has the molecular formula C7H5BrI2 and a molecular weight of 422.83 g/mol. Its IUPAC name is [bromo(diiodo)methyl]benzene.

Molecular Properties

Compound Name[bromo(diiodo)methyl]benzene
PubChem CID152582923
Molecular FormulaC7H5BrI2
Molecular Weight422.83 g/mol
Exact Mass421.77
IUPAC Name[bromo(diiodo)methyl]benzene
SMILESBrC(I)(I)c1ccccc1
InChIInChI=1S/C7H5BrI2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyYTVXHQDSXLDSPT-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1-bromo-2-chloro-1-iodoethyl)benzene
CID 140619988
(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
CID 163925016
1,1,2-tribromoethylbenzene
CID 21124765
(1R)-1-iodo-1-phenylethanamine
CID 68727841
(1-bromo-1-phenylethyl)benzene
CID 19019197
1,1,2,2,2-pentabromoethylbenzene
CID 159349505
dimagnesium;diphenylmethanediolate;dichloride
CID 162464569
trityl hypobromite
CID 21394946
(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
CID 67364349
CID 67364349
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of [bromo(diiodo)methyl]benzene?
The IUPAC name of [bromo(diiodo)methyl]benzene (CID 152582923) is [bromo(diiodo)methyl]benzene.
What is the SMILES notation for [bromo(diiodo)methyl]benzene?
The canonical SMILES for [bromo(diiodo)methyl]benzene is BrC(I)(I)c1ccccc1.
What is the InChIKey of [bromo(diiodo)methyl]benzene?
The InChIKey is YTVXHQDSXLDSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrI2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of [bromo(diiodo)methyl]benzene?
[bromo(diiodo)methyl]benzene has a molecular weight of 422.83 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(diiodo)methyl]benzene is sourced from PubChem (CID 152582923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).