1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone

C10H6Br2O2S — CID 164655288

IUPAC1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1occc1Br
InChIInChI=1S/C10H6Br2O2S/c11-6-3-7(15-5-6)4-9(13)10-8(12)1-2-14-10/h1-3,5H,4H2
InChIKeyAYTJBFIUXOMBNZ-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone

1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone (PubChem CID 164655288) has the molecular formula C10H6Br2O2S and a molecular weight of 350.03 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
PubChem CID164655288
Molecular FormulaC10H6Br2O2S
Molecular Weight350.03 g/mol
Exact Mass347.85
IUPAC Name1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1occc1Br
InChIInChI=1S/C10H6Br2O2S/c11-6-3-7(15-5-6)4-9(13)10-8(12)1-2-14-10/h1-3,5H,4H2
InChIKeyAYTJBFIUXOMBNZ-UHFFFAOYSA-N
XLogP4.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
1-(3-bromofuran-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 63943212
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 114969486
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone (CID 164655288) is 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone is O=C(Cc1cc(Br)cs1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone?
The InChIKey is AYTJBFIUXOMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2S/c11-6-3-7(15-5-6)4-9(13)10-8(12)1-2-14-10/h1-3,5H,4H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone?
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone has a molecular weight of 350.03 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 164655288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).