1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone

C9H8BrFO2 — CID 131613610

IUPAC1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(Br)cc1F
InChIInChI=1S/C9H8BrFO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3
InChIKeyPGBGCCPCXIQHEB-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone

1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone (PubChem CID 131613610) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
PubChem CID131613610
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(Br)cc1F
InChIInChI=1S/C9H8BrFO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3
InChIKeyPGBGCCPCXIQHEB-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-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
2-bromo-4-fluoro-5-methoxybenzenethiol
CID 171006071
[2-bromo-4-(bromomethyl)phenyl]-(4-fluoro-2-hydroxy-5-methoxyphenyl)methanone
CID 134514577
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone (CID 131613610) is 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone is COc1cc(C(C)=O)c(Br)cc1F.
What is the InChIKey of 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone?
The InChIKey is PGBGCCPCXIQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone?
1-(2-bromo-4-fluoro-5-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-5-methoxyphenyl)ethanone is sourced from PubChem (CID 131613610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).