2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone

C9H7Br2FO — CID 131293210

IUPAC2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CBr)c(Br)c1
InChIInChI=1S/C9H7Br2FO/c1-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4H2,1H3
InChIKeyZICAAZCYVXYUCH-UHFFFAOYSA-N
MW309.96 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone

2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone (PubChem CID 131293210) has the molecular formula C9H7Br2FO and a molecular weight of 309.96 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
PubChem CID131293210
Molecular FormulaC9H7Br2FO
Molecular Weight309.96 g/mol
Exact Mass307.88
IUPAC Name2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CBr)c(Br)c1
InChIInChI=1S/C9H7Br2FO/c1-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4H2,1H3
InChIKeyZICAAZCYVXYUCH-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.96
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056
1-(4-amino-2-fluoro-6-methylphenyl)-2-bromoethanone
CID 171018038
2-bromo-1-(2-fluoro-4-hydroxy-6-methylphenyl)ethanone
CID 171020338
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
2,6-difluoro-4-methylbenzoate
CID 86307703
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone (CID 131293210) is 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone is Cc1cc(F)c(C(=O)CBr)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone?
The InChIKey is ZICAAZCYVXYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FO/c1-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone?
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone has a molecular weight of 309.96 g/mol, XLogP of 3.47, 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-bromo-6-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 131293210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).