2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone

C12H6BrF3OS — CID 114969743

IUPAC2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H6BrF3OS/c13-7-1-2-18-11(7)5-10(17)12-8(15)3-6(14)4-9(12)16/h1-4H,5H2
InChIKeyLHVYNQCQHZQPDR-UHFFFAOYSA-N
MW335.14 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone

2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone (PubChem CID 114969743) has the molecular formula C12H6BrF3OS and a molecular weight of 335.14 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
PubChem CID114969743
Molecular FormulaC12H6BrF3OS
Molecular Weight335.14 g/mol
Exact Mass333.93
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1sccc1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H6BrF3OS/c13-7-1-2-18-11(7)5-10(17)12-8(15)3-6(14)4-9(12)16/h1-4H,5H2
InChIKeyLHVYNQCQHZQPDR-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
1-(3-bromothiophen-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 114969770
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 105092745
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
CID 62620007

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone (CID 114969743) is 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone is O=C(Cc1sccc1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The InChIKey is LHVYNQCQHZQPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3OS/c13-7-1-2-18-11(7)5-10(17)12-8(15)3-6(14)4-9(12)16/h1-4H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone has a molecular weight of 335.14 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone is sourced from PubChem (CID 114969743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).