2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone

C8H4Br2F2O — CID 122237020

IUPAC2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(Br)c1F
InChIInChI=1S/C8H4Br2F2O/c9-3-6(13)4-1-2-5(11)7(10)8(4)12/h1-2H,3H2
InChIKeyREADNKONIKOFDY-UHFFFAOYSA-N
MW313.92 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone

2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone (PubChem CID 122237020) has the molecular formula C8H4Br2F2O and a molecular weight of 313.92 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
PubChem CID122237020
Molecular FormulaC8H4Br2F2O
Molecular Weight313.92 g/mol
Exact Mass311.86
IUPAC Name2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(Br)c1F
InChIInChI=1S/C8H4Br2F2O/c9-3-6(13)4-1-2-5(11)7(10)8(4)12/h1-2H,3H2
InChIKeyREADNKONIKOFDY-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-bromo-1-(3-bromo-2,4-difluorophenyl)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

1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 131414926
N-[3-(2-bromoacetyl)-2,6-difluorophenyl]acetamide
CID 138485782
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2-bromo-3,4-difluorobenzoic acid
CID 22621204
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
CID 122237338
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411
2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 130981592
2-bromo-1-(4-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 118799232
2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963763

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone (CID 122237020) is 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone is O=C(CBr)c1ccc(F)c(Br)c1F.
What is the InChIKey of 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone?
The InChIKey is READNKONIKOFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O/c9-3-6(13)4-1-2-5(11)7(10)8(4)12/h1-2H,3H2.
What are the key properties of 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone?
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone has a molecular weight of 313.92 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone is sourced from PubChem (CID 122237020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).