1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione

C10H8FNO2S — CID 142466856

IUPAC1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Sc1ccccc1F
InChIInChI=1S/C10H8FNO2S/c11-7-3-1-2-4-8(7)15-12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyZRGXROFHESSUHA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.98
Rot. Bonds2

About 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione

1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 142466856) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID142466856
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Sc1ccccc1F
InChIInChI=1S/C10H8FNO2S/c11-7-3-1-2-4-8(7)15-12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyZRGXROFHESSUHA-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione (CID 142466856) is 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione is O=C1CCC(=O)N1Sc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is ZRGXROFHESSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-7-3-1-2-4-8(7)15-12-9(13)5-6-10(12)14/h1-4H,5-6H2.
What are the key properties of 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione?
1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 225.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 142466856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).