1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone

C10H10BrFO3 — CID 84714598

IUPAC1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
SMILESCOc1c(Br)cc(C(C)=O)c(OC)c1F
InChIInChI=1S/C10H10BrFO3/c1-5(13)6-4-7(11)10(15-3)8(12)9(6)14-2/h4H,1-3H3
InChIKeyLLGSNKBRYGSPQF-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.81
Rot. Bonds3

About 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone

1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone (PubChem CID 84714598) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
PubChem CID84714598
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
SMILESCOc1c(Br)cc(C(C)=O)c(OC)c1F
InChIInChI=1S/C10H10BrFO3/c1-5(13)6-4-7(11)10(15-3)8(12)9(6)14-2/h4H,1-3H3
InChIKeyLLGSNKBRYGSPQF-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 117478322
1-[3-bromo-5-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131569733
3-acetyl-5-bromo-4-methoxybenzonitrile
CID 171005505
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
1-(5-bromo-2,3-difluoro-4-hydroxyphenyl)ethanone
CID 117380244
1-[5-bromo-3-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131568665
2-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-2-oxoacetic acid
CID 117469922
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
CID 171005543
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone (CID 84714598) is 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone is COc1c(Br)cc(C(C)=O)c(OC)c1F.
What is the InChIKey of 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone?
The InChIKey is LLGSNKBRYGSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(13)6-4-7(11)10(15-3)8(12)9(6)14-2/h4H,1-3H3.
What are the key properties of 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone?
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone has a molecular weight of 277.09 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84714598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).