[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

C8H12FNO3S — CID 59335524

IUPAC[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCCOCCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C8H12FNO3S/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12/h6H,2-5H2,1H3
InChIKeySCBOWZXTQWXFGV-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.77
Rot. Bonds5

About [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 59335524) has the molecular formula C8H12FNO3S and a molecular weight of 221.25 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID59335524
Molecular FormulaC8H12FNO3S
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCCOCCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C8H12FNO3S/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12/h6H,2-5H2,1H3
InChIKeySCBOWZXTQWXFGV-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 59335524) is [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is CCOCCN1C(=O)CC(SF)C1=O.
What is the InChIKey of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is SCBOWZXTQWXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3S/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12/h6H,2-5H2,1H3.
What are the key properties of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 221.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 59335524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).