2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

C15H10BrFO2S — CID 105092745

IUPAC2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)Cc2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C15H10BrFO2S/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6H,7H2,1H3
InChIKeyZPLMXXCFXKTOHD-UHFFFAOYSA-N
MW353.21 g/mol
LogP5.13
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 105092745) has the molecular formula C15H10BrFO2S and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID105092745
Molecular FormulaC15H10BrFO2S
Molecular Weight353.21 g/mol
Exact Mass351.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)Cc2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C15H10BrFO2S/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6H,7H2,1H3
InChIKeyZPLMXXCFXKTOHD-UHFFFAOYSA-N
XLogP5.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.21
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 113225600
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062804
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
CID 110824379
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 114969743
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (CID 105092745) is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is Cc1c(C(=O)Cc2sccc2Br)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is ZPLMXXCFXKTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2S/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6H,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 353.21 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 105092745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).