1-(2-bromo-5-fluorophenyl)ethanone

C8H6BrFO — CID 22736080

IUPAC1-(2-bromo-5-fluorophenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C8H6BrFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChIKeyBQXROZQUDCJBBY-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.79
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)ethanone

1-(2-bromo-5-fluorophenyl)ethanone (PubChem CID 22736080) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)ethanone
PubChem CID22736080
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name1-(2-bromo-5-fluorophenyl)ethanone
SMILESCC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C8H6BrFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChIKeyBQXROZQUDCJBBY-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-acetyl-5-fluorobenzoic acid
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2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
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1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
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(2-bromo-5-fluorophenyl)-cyclopropylmethanone
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1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
1-(3-bromo-5-fluoro-2-iodophenyl)ethanone
CID 131366424
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)ethanone (CID 22736080) is 1-(2-bromo-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)ethanone is CC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)ethanone?
The InChIKey is BQXROZQUDCJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)ethanone?
1-(2-bromo-5-fluorophenyl)ethanone has a molecular weight of 217.04 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)ethanone is sourced from PubChem (CID 22736080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).