1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone

C12H8BrFOS — CID 43154168

IUPAC1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C12H8BrFOS/c1-7(15)11-4-5-12(16-11)9-3-2-8(14)6-10(9)13/h2-6H,1H3
InChIKeyQGFHUWLCVAYFSJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.52
Rot. Bonds2

About 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone

1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone (PubChem CID 43154168) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
PubChem CID43154168
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C12H8BrFOS/c1-7(15)11-4-5-12(16-11)9-3-2-8(14)6-10(9)13/h2-6H,1H3
InChIKeyQGFHUWLCVAYFSJ-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]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-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanone
CID 43154087
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
CID 43363436
1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
CID 21406811
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
CID 79050472
5-(4-fluoro-2-iodophenyl)thiophene-2-carboxylic acid
CID 79766192
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
1-[5-(3-bromo-2,6-dimethylphenyl)thiophen-2-yl]ethanone
CID 164973501
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]propan-1-one
CID 107615053

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone (CID 43154168) is 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(F)cc2Br)s1.
What is the InChIKey of 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone?
The InChIKey is QGFHUWLCVAYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c1-7(15)11-4-5-12(16-11)9-3-2-8(14)6-10(9)13/h2-6H,1H3.
What are the key properties of 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone?
1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone has a molecular weight of 299.16 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 43154168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).