2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid

C7H4FNO2S — CID 70159593

IUPAC2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1c(F)sc2cc[nH]c12
InChIInChI=1S/C7H4FNO2S/c8-6-4(7(10)11)5-3(12-6)1-2-9-5/h1-2,9H,(H,10,11)
InChIKeyROCFYXSLXQUGGP-UHFFFAOYSA-N
MW185.18 g/mol
LogP2.07
Rot. Bonds1

About 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid

2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid (PubChem CID 70159593) has the molecular formula C7H4FNO2S and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
PubChem CID70159593
Molecular FormulaC7H4FNO2S
Molecular Weight185.18 g/mol
Exact Mass184.99
IUPAC Name2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
SMILESO=C(O)c1c(F)sc2cc[nH]c12
InChIInChI=1S/C7H4FNO2S/c8-6-4(7(10)11)5-3(12-6)1-2-9-5/h1-2,9H,(H,10,11)
InChIKeyROCFYXSLXQUGGP-UHFFFAOYSA-N
XLogP2.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The IUPAC name of 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid (CID 70159593) is 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid is O=C(O)c1c(F)sc2cc[nH]c12.
What is the InChIKey of 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
The InChIKey is ROCFYXSLXQUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO2S/c8-6-4(7(10)11)5-3(12-6)1-2-9-5/h1-2,9H,(H,10,11).
What are the key properties of 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid?
2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid is sourced from PubChem (CID 70159593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).