2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone

C10H9BrF2O3 — CID 151539993

IUPAC2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(F)c(C(=O)CBr)c1F
InChIInChI=1S/C10H9BrF2O3/c1-15-6-3-7(16-2)10(13)8(9(6)12)5(14)4-11/h3H,4H2,1-2H3
InChIKeyPYGSGWUWRARCRI-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.56
Rot. Bonds4

About 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone

2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone (PubChem CID 151539993) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
PubChem CID151539993
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(F)c(C(=O)CBr)c1F
InChIInChI=1S/C10H9BrF2O3/c1-15-6-3-7(16-2)10(13)8(9(6)12)5(14)4-11/h3H,4H2,1-2H3
InChIKeyPYGSGWUWRARCRI-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,3,5-trifluoro-6-methoxyphenyl)ethanone
CID 131380731
2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
CID 117359258
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
CID 102137910
2-(2-bromoacetyl)-5-iodo-3-methoxybenzaldehyde
CID 171015273
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone (CID 151539993) is 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone is COc1cc(OC)c(F)c(C(=O)CBr)c1F.
What is the InChIKey of 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone?
The InChIKey is PYGSGWUWRARCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c1-15-6-3-7(16-2)10(13)8(9(6)12)5(14)4-11/h3H,4H2,1-2H3.
What are the key properties of 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone?
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone has a molecular weight of 295.08 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 151539993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).