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

C9H8BrFO — CID 53402494

IUPAC1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(F)cc1Br
InChIInChI=1S/C9H8BrFO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3
InChIKeyCYMHPPTUWAMXHM-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.10
Rot. Bonds1

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

1-(2-bromo-4-fluoro-6-methylphenyl)ethanone (PubChem CID 53402494) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
PubChem CID53402494
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name1-(2-bromo-4-fluoro-6-methylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(F)cc1Br
InChIInChI=1S/C9H8BrFO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3
InChIKeyCYMHPPTUWAMXHM-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
CID 131623551
1-(2-bromo-4-chloro-6-methylphenyl)ethanone
CID 131308865
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339
1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401
2,4-difluoro-6-methylbenzoic acid
CID 119005612
1-(3-bromo-5-fluoro-2-iodophenyl)ethanone
CID 131366424
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
2-bromo-4-fluoro-6-methylbenzenethiol
CID 50998036
2-bromo-4-fluoro-6-methylaniline
CID 2773378
1-bromo-5-fluoro-3-methyl-2-(2-methylprop-1-enyl)benzene;ethane
CID 145356267
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone (CID 53402494) is 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone is CC(=O)c1c(C)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone?
The InChIKey is CYMHPPTUWAMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c1-5-3-7(11)4-8(10)9(5)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone?
1-(2-bromo-4-fluoro-6-methylphenyl)ethanone has a molecular weight of 231.06 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluoro-6-methylphenyl)ethanone is sourced from PubChem (CID 53402494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).