3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H11BrO2S — CID 130488378

IUPAC3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1ccc(Br)s1
InChIInChI=1S/C10H11BrO2S/c1-10(2)7(8(10)9(12)13)5-3-4-6(11)14-5/h3-4,7-8H,1-2H3,(H,12,13)
InChIKeyFAJIQGKFJHAAAC-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.33
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 130488378) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID130488378
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1ccc(Br)s1
InChIInChI=1S/C10H11BrO2S/c1-10(2)7(8(10)9(12)13)5-3-4-6(11)14-5/h3-4,7-8H,1-2H3,(H,12,13)
InChIKeyFAJIQGKFJHAAAC-UHFFFAOYSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 130488378) is 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FAJIQGKFJHAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-10(2)7(8(10)9(12)13)5-3-4-6(11)14-5/h3-4,7-8H,1-2H3,(H,12,13).
What are the key properties of 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 275.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 130488378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).