4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride

C7H8ClFN2O3 — CID 135388530

IUPAC4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride
SMILESO=C1C(=O)N(C(=O)Cl)CCN1CCF
InChIInChI=1S/C7H8ClFN2O3/c8-7(14)11-4-3-10(2-1-9)5(12)6(11)13/h1-4H2
InChIKeyWCZXPHQISLUWQJ-UHFFFAOYSA-N
MW222.60 g/mol
LogP-0.01
Rot. Bonds2

About 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride

4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride (PubChem CID 135388530) has the molecular formula C7H8ClFN2O3 and a molecular weight of 222.60 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride
PubChem CID135388530
Molecular FormulaC7H8ClFN2O3
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride
SMILESO=C1C(=O)N(C(=O)Cl)CCN1CCF
InChIInChI=1S/C7H8ClFN2O3/c8-7(14)11-4-3-10(2-1-9)5(12)6(11)13/h1-4H2
InChIKeyWCZXPHQISLUWQJ-UHFFFAOYSA-N
XLogP-0.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 5-0.01
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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Related Compounds

4-Ethyl-2,3-dioxopiperazinecarbonyl chloride
CID 108813
4-Methyl-3-oxopiperazine-1-carbonyl chloride
CID 15582244
1,4-Bis(chloromethyl)piperazine-2,5-dione
CID 308219
1-Piperazinecarbonyl chloride, 4-(2,2,2-trifluoroacetyl)-
CID 57848746
1-Ethyl-4-(2-fluoroethyl)piperazine-2,3-dione
CID 142485447
4-Ethyl-2,3-dioxopiperazine-1-carbonyl fluoride
CID 144659251
1-Acetyl-4-(2-fluoroethyl)piperazine-2,3-dione
CID 153367802
4-(1-Fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride
CID 156239529
2,3-Dioxo-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl chloride
CID 156408968
(6S)-4-(2-fluoroethyl)-6-methyl-2,3-dioxopiperazine-1-carbonyl chloride
CID 156409025
4-(2-Fluoroethyl)-6-methyl-2,3-dioxopiperazine-1-carbonyl chloride
CID 156409027
1-(2,2-Difluoroethyl)-4-methylpiperazine-2,6-dione
CID 126992728

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride?
The IUPAC name of 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride (CID 135388530) is 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride.
What is the SMILES notation for 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride?
The canonical SMILES for 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride is O=C1C(=O)N(C(=O)Cl)CCN1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride?
The InChIKey is WCZXPHQISLUWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O3/c8-7(14)11-4-3-10(2-1-9)5(12)6(11)13/h1-4H2.
What are the key properties of 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride?
4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride has a molecular weight of 222.60 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2,3-dioxopiperazine-1-carbonyl chloride is sourced from PubChem (CID 135388530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).