2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium

C8H8FNS+2 — CID 163940941

IUPAC2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium
SMILESFc1cc(C2=CC=C[NH2+]2)c[sH+]1
InChIInChI=1S/C8H6FNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h1-5,10H/p+2
InChIKeyRQXCLYZOXUJDRA-UHFFFAOYSA-P
MW169.22 g/mol
LogP1.05
Rot. Bonds1

About 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium

2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium (PubChem CID 163940941) has the molecular formula C8H8FNS+2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium.

Molecular Properties

Compound Name2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium
PubChem CID163940941
Molecular FormulaC8H8FNS+2
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium
SMILESFc1cc(C2=CC=C[NH2+]2)c[sH+]1
InChIInChI=1S/C8H6FNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h1-5,10H/p+2
InChIKeyRQXCLYZOXUJDRA-UHFFFAOYSA-P
XLogP1.05
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium?
The IUPAC name of 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium (CID 163940941) is 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium.
What is the SMILES notation for 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium?
The canonical SMILES for 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium is Fc1cc(C2=CC=C[NH2+]2)c[sH+]1.
What is the InChIKey of 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium?
The InChIKey is RQXCLYZOXUJDRA-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H6FNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h1-5,10H/p+2.
What are the key properties of 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium?
2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium has a molecular weight of 169.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorothiophen-1-ium-3-yl)-1H-pyrrol-1-ium is sourced from PubChem (CID 163940941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).