2-bromo-1-(2,4-difluorophenyl)ethanone

C8H5BrF2O — CID 2774185

IUPAC2-bromo-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)cc1F
InChIInChI=1S/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyCSGDTHXBRAAOHV-UHFFFAOYSA-N
MW235.03 g/mol
LogP2.54
Rot. Bonds2

About 2-bromo-1-(2,4-difluorophenyl)ethanone

2-bromo-1-(2,4-difluorophenyl)ethanone (PubChem CID 2774185) has the molecular formula C8H5BrF2O and a molecular weight of 235.03 g/mol. Its IUPAC name is 2-bromo-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,4-difluorophenyl)ethanone
PubChem CID2774185
Molecular FormulaC8H5BrF2O
Molecular Weight235.03 g/mol
Exact Mass233.95
IUPAC Name2-bromo-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)cc1F
InChIInChI=1S/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyCSGDTHXBRAAOHV-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone
CID 21399995
2,4-difluorobenzoyl bromide
CID 87349807
2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
CID 122237338
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
CID 164571859
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
1-(2-amino-3,5-difluorophenyl)-2-bromoethanone
CID 171017638
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,4-difluorophenyl)ethanone (CID 2774185) is 2-bromo-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,4-difluorophenyl)ethanone is O=C(CBr)c1ccc(F)cc1F.
What is the InChIKey of 2-bromo-1-(2,4-difluorophenyl)ethanone?
The InChIKey is CSGDTHXBRAAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2.
What are the key properties of 2-bromo-1-(2,4-difluorophenyl)ethanone?
2-bromo-1-(2,4-difluorophenyl)ethanone has a molecular weight of 235.03 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 2774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).