2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid

C8H7BrO2S — CID 82479669

IUPAC2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)cs1
InChIInChI=1S/C8H7BrO2S/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)
InChIKeyVUGPCJZSPUEEBE-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.70
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid

2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 82479669) has the molecular formula C8H7BrO2S and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID82479669
Molecular FormulaC8H7BrO2S
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cc(Br)cs1
InChIInChI=1S/C8H7BrO2S/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11)
InChIKeyVUGPCJZSPUEEBE-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid (CID 82479669) is 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is VUGPCJZSPUEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2S/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H,10,11).
What are the key properties of 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid?
2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 247.11 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82479669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).