2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone

C9H7BrClFO2 — CID 171007000

IUPAC2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1ccc(F)c(C(=O)CBr)c1Cl
InChIInChI=1S/C9H7BrClFO2/c1-14-7-3-2-5(12)8(9(7)11)6(13)4-10/h2-3H,4H2,1H3
InChIKeyPNWBZPIPOAJYNM-UHFFFAOYSA-N
MW281.51 g/mol
LogP3.07
Rot. Bonds3

About 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone

2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone (PubChem CID 171007000) has the molecular formula C9H7BrClFO2 and a molecular weight of 281.51 g/mol. Its IUPAC name is 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
PubChem CID171007000
Molecular FormulaC9H7BrClFO2
Molecular Weight281.51 g/mol
Exact Mass279.93
IUPAC Name2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1ccc(F)c(C(=O)CBr)c1Cl
InChIInChI=1S/C9H7BrClFO2/c1-14-7-3-2-5(12)8(9(7)11)6(13)4-10/h2-3H,4H2,1H3
InChIKeyPNWBZPIPOAJYNM-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
6-(bromomethyl)-2-chloro-3-methoxybenzoic acid
CID 171020706
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
CID 102137910
2-(2-bromoacetyl)-3-methoxy-6-methylbenzaldehyde
CID 171022450
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
2-chloro-1-[2-chloro-3-methoxy-6-(trifluoromethyl)phenyl]ethanone
CID 171030166
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
CID 90061824
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone (CID 171007000) is 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone is COc1ccc(F)c(C(=O)CBr)c1Cl.
What is the InChIKey of 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is PNWBZPIPOAJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO2/c1-14-7-3-2-5(12)8(9(7)11)6(13)4-10/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone?
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 281.51 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 171007000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).