2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone

C8H3Br2F3O — CID 130137043

IUPAC2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Br)cc1F)C(F)(F)Br
InChIInChI=1S/C8H3Br2F3O/c9-4-1-2-5(6(11)3-4)7(14)8(10,12)13/h1-3H
InChIKeyQFWIDXCQESOPFS-UHFFFAOYSA-N
MW331.91 g/mol
LogP3.76
Rot. Bonds2

About 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone

2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone (PubChem CID 130137043) has the molecular formula C8H3Br2F3O and a molecular weight of 331.91 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
PubChem CID130137043
Molecular FormulaC8H3Br2F3O
Molecular Weight331.91 g/mol
Exact Mass329.85
IUPAC Name2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Br)cc1F)C(F)(F)Br
InChIInChI=1S/C8H3Br2F3O/c9-4-1-2-5(6(11)3-4)7(14)8(10,12)13/h1-3H
InChIKeyQFWIDXCQESOPFS-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 53.76
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

1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(5-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-one
CID 126982063
4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
CID 139748695
3-(4-bromo-2-fluorophenyl)-3-oxopropanal
CID 82967650
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
CID 130136879
2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone (CID 130137043) is 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone is O=C(c1ccc(Br)cc1F)C(F)(F)Br.
What is the InChIKey of 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone?
The InChIKey is QFWIDXCQESOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F3O/c9-4-1-2-5(6(11)3-4)7(14)8(10,12)13/h1-3H.
What are the key properties of 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone?
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone has a molecular weight of 331.91 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 130137043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).