2-(4-bromo-2-fluorophenyl)acetyl iodide

C8H5BrFIO — CID 90435604

IUPAC2-(4-bromo-2-fluorophenyl)acetyl iodide
SMILESO=C(I)Cc1ccc(Br)cc1F
InChIInChI=1S/C8H5BrFIO/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2
InChIKeyPJCGBEBVEHAPLU-UHFFFAOYSA-N
MW342.93 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)acetyl iodide

2-(4-bromo-2-fluorophenyl)acetyl iodide (PubChem CID 90435604) has the molecular formula C8H5BrFIO and a molecular weight of 342.93 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)acetyl iodide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)acetyl iodide
PubChem CID90435604
Molecular FormulaC8H5BrFIO
Molecular Weight342.93 g/mol
Exact Mass341.86
IUPAC Name2-(4-bromo-2-fluorophenyl)acetyl iodide
SMILESO=C(I)Cc1ccc(Br)cc1F
InChIInChI=1S/C8H5BrFIO/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2
InChIKeyPJCGBEBVEHAPLU-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.93
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
1-(4-bromo-2-fluorophenyl)-4-(methylamino)butan-2-one
CID 116561217
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)acetyl iodide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)acetyl iodide (CID 90435604) is 2-(4-bromo-2-fluorophenyl)acetyl iodide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)acetyl iodide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)acetyl iodide is O=C(I)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)acetyl iodide?
The InChIKey is PJCGBEBVEHAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFIO/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)acetyl iodide?
2-(4-bromo-2-fluorophenyl)acetyl iodide has a molecular weight of 342.93 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)acetyl iodide is sourced from PubChem (CID 90435604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).