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

C8H12F9NO3S — CID 91282399

IUPAC[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
SMILESCCOCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C8H12FNO3S.4F2/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12;4*1-2/h6H,2-5H2,1H3;;;;
InChIKeyQVTYOBDAFXJYGP-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.13
Rot. Bonds5

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

[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine (PubChem CID 91282399) has the molecular formula C8H12F9NO3S and a molecular weight of 373.24 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
PubChem CID91282399
Molecular FormulaC8H12F9NO3S
Molecular Weight373.24 g/mol
Exact Mass373.04
IUPAC Name[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
SMILESCCOCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C8H12FNO3S.4F2/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12;4*1-2/h6H,2-5H2,1H3;;;;
InChIKeyQVTYOBDAFXJYGP-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.13
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;molecular fluorine?
The IUPAC name of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine (CID 91282399) is [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine.
What is the SMILES notation for [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
The canonical SMILES for [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine is CCOCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF.
What is the InChIKey of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
The InChIKey is QVTYOBDAFXJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3S.4F2/c1-2-13-4-3-10-7(11)5-6(14-9)8(10)12;4*1-2/h6H,2-5H2,1H3;;;;.
What are the key properties of [1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
[1-(2-ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine has a molecular weight of 373.24 g/mol, XLogP of 4.13, 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;molecular fluorine is sourced from PubChem (CID 91282399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).