1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone

C10H10BrFO3 — CID 84811157

IUPAC1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(F)c1Br
InChIInChI=1S/C10H10BrFO3/c1-5(13)8-6(14-2)4-7(15-3)9(11)10(8)12/h4H,1-3H3
InChIKeyVUGPFXSBLZPKKA-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone

1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone (PubChem CID 84811157) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
PubChem CID84811157
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(F)c1Br
InChIInChI=1S/C10H10BrFO3/c1-5(13)8-6(14-2)4-7(15-3)9(11)10(8)12/h4H,1-3H3
InChIKeyVUGPFXSBLZPKKA-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-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-(2-hydroxy-4,6-dimethoxy-3-methylsulfanylphenyl)ethanone
CID 121223856
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
CID 131332595
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone (CID 84811157) is 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone is COc1cc(OC)c(C(C)=O)c(F)c1Br.
What is the InChIKey of 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone?
The InChIKey is VUGPFXSBLZPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(13)8-6(14-2)4-7(15-3)9(11)10(8)12/h4H,1-3H3.
What are the key properties of 1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone?
1-(3-bromo-2-fluoro-4,6-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-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84811157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).