2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone

C8H4BrF2IO — CID 131349738

IUPAC2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
SMILESO=C(CBr)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H4BrF2IO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3H2
InChIKeyJPLSSWCFAJLELB-UHFFFAOYSA-N
MW360.92 g/mol
LogP3.15
Rot. Bonds2

About 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone

2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone (PubChem CID 131349738) has the molecular formula C8H4BrF2IO and a molecular weight of 360.92 g/mol. Its IUPAC name is 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
PubChem CID131349738
Molecular FormulaC8H4BrF2IO
Molecular Weight360.92 g/mol
Exact Mass359.85
IUPAC Name2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
SMILESO=C(CBr)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H4BrF2IO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3H2
InChIKeyJPLSSWCFAJLELB-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.92
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoacetyl)-3-fluoro-5-iodobenzonitrile
CID 171021896
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
2-bromo-1-(3-bromo-2-fluoro-5-iodophenyl)ethanone
CID 171033169
2-bromo-1-(2-fluoro-4-hydroxy-6-methylphenyl)ethanone
CID 171020338
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210
2-bromo-6-fluoro-4-iodobenzoic acid
CID 74892438
2-bromo-1-(2-chloro-4-iodo-6-methylphenyl)ethanone
CID 171004392
1-(4-amino-2-fluoro-6-methylphenyl)-2-bromoethanone
CID 171018038
1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
CID 50998410
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
2-bromo-1-(3-bromo-5-iodophenyl)ethanone
CID 118815509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone (CID 131349738) is 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone is O=C(CBr)c1c(F)cc(I)cc1F.
What is the InChIKey of 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone?
The InChIKey is JPLSSWCFAJLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone?
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone has a molecular weight of 360.92 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone is sourced from PubChem (CID 131349738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).