1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one

C10H9F2NOS — CID 91398622

IUPAC1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2sc(F)c(F)c2[nH]1
InChIInChI=1S/C10H9F2NOS/c1-4(2)9(14)5-3-6-8(13-5)7(11)10(12)15-6/h3-4,13H,1-2H3
InChIKeyCLNCGALCXSAKKO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.35
Rot. Bonds2

About 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one

1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one (PubChem CID 91398622) has the molecular formula C10H9F2NOS and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one
PubChem CID91398622
Molecular FormulaC10H9F2NOS
Molecular Weight229.25 g/mol
Exact Mass229.04
IUPAC Name1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2sc(F)c(F)c2[nH]1
InChIInChI=1S/C10H9F2NOS/c1-4(2)9(14)5-3-6-8(13-5)7(11)10(12)15-6/h3-4,13H,1-2H3
InChIKeyCLNCGALCXSAKKO-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one (CID 91398622) is 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2sc(F)c(F)c2[nH]1.
What is the InChIKey of 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one?
The InChIKey is CLNCGALCXSAKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NOS/c1-4(2)9(14)5-3-6-8(13-5)7(11)10(12)15-6/h3-4,13H,1-2H3.
What are the key properties of 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one?
1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one has a molecular weight of 229.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 91398622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).