2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone

C8H4Br2FNO3 — CID 131414926

IUPAC2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C8H4Br2FNO3/c9-3-6(13)4-1-2-5(11)8(7(4)10)12(14)15/h1-2H,3H2
InChIKeyUTFLSKGYUDLJDR-UHFFFAOYSA-N
MW340.93 g/mol
LogP3.07
Rot. Bonds3

About 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone

2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone (PubChem CID 131414926) has the molecular formula C8H4Br2FNO3 and a molecular weight of 340.93 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
PubChem CID131414926
Molecular FormulaC8H4Br2FNO3
Molecular Weight340.93 g/mol
Exact Mass338.85
IUPAC Name2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C8H4Br2FNO3/c9-3-6(13)4-1-2-5(11)8(7(4)10)12(14)15/h1-2H,3H2
InChIKeyUTFLSKGYUDLJDR-UHFFFAOYSA-N
XLogP3.07
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.93
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 118799232
1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 119023442
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407
2-bromo-1-(3-fluoro-2-nitrophenyl)ethanone
CID 99770306
methyl 2-bromo-4-fluoro-3-nitrobenzoate
CID 131273963
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
2-bromo-1-(2-bromo-3-iodo-4-nitrophenyl)ethanone
CID 171001694
1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
1-(6-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018861
1-(3-amino-6-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018099
1-(5-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone (CID 131414926) is 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone is O=C(CBr)c1ccc(F)c([N+](=O)[O-])c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone?
The InChIKey is UTFLSKGYUDLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2FNO3/c9-3-6(13)4-1-2-5(11)8(7(4)10)12(14)15/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone?
2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone has a molecular weight of 340.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone is sourced from PubChem (CID 131414926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).