1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

C8H6FNOS — CID 91566190

IUPAC1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(F)cc2[nH]1
InChIInChI=1S/C8H6FNOS/c1-4(11)5-2-7-6(10-5)3-8(9)12-7/h2-3,10H,1H3
InChIKeySJTFIQZMDPTFRL-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.57
Rot. Bonds1

About 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (PubChem CID 91566190) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
PubChem CID91566190
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1cc2sc(F)cc2[nH]1
InChIInChI=1S/C8H6FNOS/c1-4(11)5-2-7-6(10-5)3-8(9)12-7/h2-3,10H,1H3
InChIKeySJTFIQZMDPTFRL-UHFFFAOYSA-N
XLogP2.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The IUPAC name of 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (CID 91566190) is 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is CC(=O)c1cc2sc(F)cc2[nH]1.
What is the InChIKey of 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The InChIKey is SJTFIQZMDPTFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-4(11)5-2-7-6(10-5)3-8(9)12-7/h2-3,10H,1H3.
What are the key properties of 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone has a molecular weight of 183.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is sourced from PubChem (CID 91566190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).