1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone

C9H8BrFO2 — CID 171005543

IUPAC1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1c(F)ccc(C(C)=O)c1Br
InChIInChI=1S/C9H8BrFO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,1-2H3
InChIKeySYNCUBDUWXOQOS-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone

1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone (PubChem CID 171005543) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
PubChem CID171005543
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1c(F)ccc(C(C)=O)c1Br
InChIInChI=1S/C9H8BrFO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,1-2H3
InChIKeySYNCUBDUWXOQOS-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluoro-3-hydroxyphenyl)ethanone
CID 118995933
1-(3-tert-butyl-4-fluoro-2-methoxyphenyl)ethanone
CID 176614285
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
1-[2-bromo-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171008290
1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 119023442
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone (CID 171005543) is 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone is COc1c(F)ccc(C(C)=O)c1Br.
What is the InChIKey of 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is SYNCUBDUWXOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone?
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 247.06 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 171005543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).