[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

C9H14FNO3S — CID 59335520

IUPAC[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCOCCCCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C9H14FNO3S/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13/h7H,2-6H2,1H3
InChIKeyGTCCHPYPQSSXLX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.16
Rot. Bonds6

About [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 59335520) has the molecular formula C9H14FNO3S and a molecular weight of 235.28 g/mol. Its IUPAC name is [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID59335520
Molecular FormulaC9H14FNO3S
Molecular Weight235.28 g/mol
Exact Mass235.07
IUPAC Name[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCOCCCCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C9H14FNO3S/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13/h7H,2-6H2,1H3
InChIKeyGTCCHPYPQSSXLX-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.16
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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Related Compounds

[1-(2-Ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59335524
(5-Methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
CID 142573288
1-(4-Methoxybutyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 59301268
1-(1-Methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 67474103
[[1-(1-Methoxyethyl)-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
CID 88927424
[1-(4-Methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
CID 90878456
[1-(2-Ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
CID 91282399
1-(4-Methoxybutyl)pyrrolidine-2,5-dione
CID 139959488
Ethane;(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
CID 142573287
1-[2-(Triethoxy-lambda4-sulfanyl)ethyl]pyrrolidine-2,5-dione
CID 164003257
1-(3-Ethoxysulfanylpropyl)pyrrolidine-2,5-dione
CID 172242269

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 59335520) is [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is COCCCCN1C(=O)CC(SF)C1=O.
What is the InChIKey of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is GTCCHPYPQSSXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3S/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13/h7H,2-6H2,1H3.
What are the key properties of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 235.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 59335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).