5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid

C8H5FO2S2 — CID 155769581

IUPAC5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
SMILESCc1c(F)sc2cc(C(=O)O)sc12
InChIInChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11)
InChIKeyIAPKWAIFEVZDFU-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.11
Rot. Bonds1

About 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid

5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid (PubChem CID 155769581) has the molecular formula C8H5FO2S2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
PubChem CID155769581
Molecular FormulaC8H5FO2S2
Molecular Weight216.26 g/mol
Exact Mass215.97
IUPAC Name5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
SMILESCc1c(F)sc2cc(C(=O)O)sc12
InChIInChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11)
InChIKeyIAPKWAIFEVZDFU-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid (CID 155769581) is 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid is Cc1c(F)sc2cc(C(=O)O)sc12.
What is the InChIKey of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
The InChIKey is IAPKWAIFEVZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO2S2/c1-3-6-4(13-7(3)9)2-5(12-6)8(10)11/h2H,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid?
5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid is sourced from PubChem (CID 155769581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).