1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one

C10H9BrF2O3 — CID 107508257

IUPAC1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H9BrF2O3/c1-15-4-7(14)5-16-9-3-6(11)2-8(12)10(9)13/h2-3H,4-5H2,1H3
InChIKeyJRJFYMSXWSKLQP-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.32
Rot. Bonds5

About 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one

1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one (PubChem CID 107508257) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
PubChem CID107508257
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H9BrF2O3/c1-15-4-7(14)5-16-9-3-6(11)2-8(12)10(9)13/h2-3H,4-5H2,1H3
InChIKeyJRJFYMSXWSKLQP-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one 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-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
CID 107100400
1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
CID 107508163
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 107098987
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
2-(5-bromo-2,3-difluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 107100430
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one (CID 107508257) is 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one is COCC(=O)COc1cc(Br)cc(F)c1F.
What is the InChIKey of 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one?
The InChIKey is JRJFYMSXWSKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c1-15-4-7(14)5-16-9-3-6(11)2-8(12)10(9)13/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one?
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one has a molecular weight of 295.08 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107508257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).