2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone

C12H6Br3FOS — CID 107967710

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H6Br3FOS/c13-7-1-6(2-8(16)4-7)3-10(17)9-5-11(14)18-12(9)15/h1-2,4-5H,3H2
InChIKeyGRTXKZCLWWYWKF-UHFFFAOYSA-N
MW456.96 g/mol
LogP5.60
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 107967710) has the molecular formula C12H6Br3FOS and a molecular weight of 456.96 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID107967710
Molecular FormulaC12H6Br3FOS
Molecular Weight456.96 g/mol
Exact Mass453.77
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H6Br3FOS/c13-7-1-6(2-8(16)4-7)3-10(17)9-5-11(14)18-12(9)15/h1-2,4-5H,3H2
InChIKeyGRTXKZCLWWYWKF-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.96
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-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

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
CID 105405260
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105118265
1-(2,5-dibromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114021988
1-(2,5-dibromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 107962768
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone (CID 107967710) is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone is O=C(Cc1cc(F)cc(Br)c1)c1cc(Br)sc1Br.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is GRTXKZCLWWYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br3FOS/c13-7-1-6(2-8(16)4-7)3-10(17)9-5-11(14)18-12(9)15/h1-2,4-5H,3H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 456.96 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 107967710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).