1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone

C10H7BrO2S — CID 115795627

IUPAC1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1sccc1Br
InChIInChI=1S/C10H7BrO2S/c11-8-3-5-14-10(8)9(12)6-7-2-1-4-13-7/h1-5H,6H2
InChIKeyFDVTTYXYBLPAND-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.53
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone

1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone (PubChem CID 115795627) has the molecular formula C10H7BrO2S and a molecular weight of 271.13 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone
PubChem CID115795627
Molecular FormulaC10H7BrO2S
Molecular Weight271.13 g/mol
Exact Mass269.94
IUPAC Name1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1sccc1Br
InChIInChI=1S/C10H7BrO2S/c11-8-3-5-14-10(8)9(12)6-7-2-1-4-13-7/h1-5H,6H2
InChIKeyFDVTTYXYBLPAND-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone (CID 115795627) is 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone?
The InChIKey is FDVTTYXYBLPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S/c11-8-3-5-14-10(8)9(12)6-7-2-1-4-13-7/h1-5H,6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone?
1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone has a molecular weight of 271.13 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 115795627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).