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

C9H14F9NO3S — CID 90878456

IUPAC[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
SMILESCOCCCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C9H14FNO3S.4F2/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13;4*1-2/h7H,2-6H2,1H3;;;;
InChIKeyGZWJMKOULFFNNM-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.52
Rot. Bonds6

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

[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine (PubChem CID 90878456) has the molecular formula C9H14F9NO3S and a molecular weight of 387.26 g/mol. Its IUPAC name is [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine.

Molecular Properties

Compound Name[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
PubChem CID90878456
Molecular FormulaC9H14F9NO3S
Molecular Weight387.26 g/mol
Exact Mass387.06
IUPAC Name[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
SMILESCOCCCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF
InChIInChI=1S/C9H14FNO3S.4F2/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13;4*1-2/h7H,2-6H2,1H3;;;;
InChIKeyGZWJMKOULFFNNM-UHFFFAOYSA-N
XLogP4.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.52
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-(4-Methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59335520
[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-(2-Ethoxyethyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
CID 91282399
Ethane;(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
CID 142573287
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;molecular fluorine?
The IUPAC name of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine (CID 90878456) is [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine.
What is the SMILES notation for [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
The canonical SMILES for [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine is COCCCCN1C(=O)CC(SF)C1=O.FF.FF.FF.FF.
What is the InChIKey of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
The InChIKey is GZWJMKOULFFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3S.4F2/c1-14-5-3-2-4-11-8(12)6-7(15-10)9(11)13;4*1-2/h7H,2-6H2,1H3;;;;.
What are the key properties of [1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine?
[1-(4-methoxybutyl)-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine has a molecular weight of 387.26 g/mol, XLogP of 4.52, 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;molecular fluorine is sourced from PubChem (CID 90878456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).