(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite

C6H8FNO3 — CID 142457368

IUPAC(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite
SMILESCC1C(=O)N(OF)C(=O)C1C
InChIInChI=1S/C6H8FNO3/c1-3-4(2)6(10)8(11-7)5(3)9/h3-4H,1-2H3
InChIKeyXMWNCAMROBRQDC-UHFFFAOYSA-N
MW161.13 g/mol
LogP0.44
Rot. Bonds1

About (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite

(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite (PubChem CID 142457368) has the molecular formula C6H8FNO3 and a molecular weight of 161.13 g/mol. Its IUPAC name is (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite.

Molecular Properties

Compound Name(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite
PubChem CID142457368
Molecular FormulaC6H8FNO3
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite
SMILESCC1C(=O)N(OF)C(=O)C1C
InChIInChI=1S/C6H8FNO3/c1-3-4(2)6(10)8(11-7)5(3)9/h3-4H,1-2H3
InChIKeyXMWNCAMROBRQDC-UHFFFAOYSA-N
XLogP0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite?
The IUPAC name of (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite (CID 142457368) is (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite.
What is the SMILES notation for (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite?
The canonical SMILES for (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite is CC1C(=O)N(OF)C(=O)C1C.
What is the InChIKey of (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite?
The InChIKey is XMWNCAMROBRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO3/c1-3-4(2)6(10)8(11-7)5(3)9/h3-4H,1-2H3.
What are the key properties of (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite?
(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite has a molecular weight of 161.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2,5-dioxopyrrolidin-1-yl) hypofluorite is sourced from PubChem (CID 142457368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).