1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole

C18H12FNOS — CID 86237179

IUPAC1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3ccco3)ccc2-c2cccs2)cc1
InChIInChI=1S/C18H12FNOS/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H
InChIKeyZARLRBXTELLDHB-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.60
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole

1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole (PubChem CID 86237179) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole
PubChem CID86237179
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole
SMILESFc1ccc(-n2c(-c3ccco3)ccc2-c2cccs2)cc1
InChIInChI=1S/C18H12FNOS/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H
InChIKeyZARLRBXTELLDHB-UHFFFAOYSA-N
XLogP5.60
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole?
The IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole (CID 86237179) is 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole is Fc1ccc(-n2c(-c3ccco3)ccc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole?
The InChIKey is ZARLRBXTELLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNOS/c19-13-5-7-14(8-6-13)20-15(17-3-1-11-21-17)9-10-16(20)18-4-2-12-22-18/h1-12H.
What are the key properties of 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole?
1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole has a molecular weight of 309.37 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(furan-2-yl)-5-thiophen-2-ylpyrrole is sourced from PubChem (CID 86237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).