4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride

C7H9FN2O3 — CID 144659251

IUPAC4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride
SMILESCCN1CCN(C(=O)F)C(=O)C1=O
InChIInChI=1S/C7H9FN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3
InChIKeyQCFZMNJKTGCCCF-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.23
Rot. Bonds1

About 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride

4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride (PubChem CID 144659251) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride
PubChem CID144659251
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride
SMILESCCN1CCN(C(=O)F)C(=O)C1=O
InChIInChI=1S/C7H9FN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3
InChIKeyQCFZMNJKTGCCCF-UHFFFAOYSA-N
XLogP-0.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride?
The IUPAC name of 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride (CID 144659251) is 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride.
What is the SMILES notation for 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride?
The canonical SMILES for 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride is CCN1CCN(C(=O)F)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride?
The InChIKey is QCFZMNJKTGCCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3.
What are the key properties of 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride?
4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride has a molecular weight of 188.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxopiperazine-1-carbonyl fluoride is sourced from PubChem (CID 144659251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).