2-bromo-1-(3-bromo-4-fluorophenyl)ethanone

C8H5Br2FO — CID 2782783

IUPAC2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChIKeyNVCNENXQUDVWRV-UHFFFAOYSA-N
MW295.93 g/mol
LogP3.17
Rot. Bonds2

About 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone

2-bromo-1-(3-bromo-4-fluorophenyl)ethanone (PubChem CID 2782783) has the molecular formula C8H5Br2FO and a molecular weight of 295.93 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
PubChem CID2782783
Molecular FormulaC8H5Br2FO
Molecular Weight295.93 g/mol
Exact Mass293.87
IUPAC Name2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChIKeyNVCNENXQUDVWRV-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.93
LogP ≤ 53.17
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-fluoro-3-hydroxyphenyl)ethanone
CID 126970439
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
CID 82122677
3-bromo-4-fluorobenzoyl bromide
CID 3018761
5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
CID 11808590
1-(3-bromo-4-fluorophenyl)pentan-1-one
CID 79736061
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 62914265
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
1-(3-bromo-4-fluorophenyl)-4-methylpent-4-en-1-one
CID 114473715
1-(3-bromo-4-fluorophenyl)-3-pyridin-4-ylpropane-1,3-dione
CID 55130699
2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
CID 82124816

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone (CID 2782783) is 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone is O=C(CBr)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone?
The InChIKey is NVCNENXQUDVWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2.
What are the key properties of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone?
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone has a molecular weight of 295.93 g/mol, XLogP of 3.17, 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-4-fluorophenyl)ethanone is sourced from PubChem (CID 2782783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).