1-(4-bromothiophen-3-yl)-2-cyclobutylethanone

C10H11BrOS — CID 103167971

IUPAC1-(4-bromothiophen-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1cscc1Br
InChIInChI=1S/C10H11BrOS/c11-9-6-13-5-8(9)10(12)4-7-2-1-3-7/h5-7H,1-4H2
InChIKeyZRESQNXNOWVSLN-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone

1-(4-bromothiophen-3-yl)-2-cyclobutylethanone (PubChem CID 103167971) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-cyclobutylethanone
PubChem CID103167971
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name1-(4-bromothiophen-3-yl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1cscc1Br
InChIInChI=1S/C10H11BrOS/c11-9-6-13-5-8(9)10(12)4-7-2-1-3-7/h5-7H,1-4H2
InChIKeyZRESQNXNOWVSLN-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone (CID 103167971) is 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone is O=C(CC1CCC1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone?
The InChIKey is ZRESQNXNOWVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c11-9-6-13-5-8(9)10(12)4-7-2-1-3-7/h5-7H,1-4H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone?
1-(4-bromothiophen-3-yl)-2-cyclobutylethanone has a molecular weight of 259.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-cyclobutylethanone is sourced from PubChem (CID 103167971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).