potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide

C7H11BF3KN2O2 — CID 63701781

IUPACpotassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide
SMILESCCN1CCN(C[B-](F)(F)F)C(=O)C1=O.[K+]
InChIInChI=1S/C7H11BF3N2O2.K/c1-2-12-3-4-13(5-8(9,10)11)7(15)6(12)14;/h2-5H2,1H3;/q-1;+1
InChIKeyWWZWTZSDDWLSMA-UHFFFAOYSA-N
MW262.08 g/mol
LogP-2.93
Rot. Bonds3

About potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide

potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide (PubChem CID 63701781) has the molecular formula C7H11BF3KN2O2 and a molecular weight of 262.08 g/mol. Its IUPAC name is potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide
PubChem CID63701781
Molecular FormulaC7H11BF3KN2O2
Molecular Weight262.08 g/mol
Exact Mass262.05
IUPAC Namepotassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide
SMILESCCN1CCN(C[B-](F)(F)F)C(=O)C1=O.[K+]
InChIInChI=1S/C7H11BF3N2O2.K/c1-2-12-3-4-13(5-8(9,10)11)7(15)6(12)14;/h2-5H2,1H3;/q-1;+1
InChIKeyWWZWTZSDDWLSMA-UHFFFAOYSA-N
XLogP-2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide (CID 63701781) is potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide is CCN1CCN(C[B-](F)(F)F)C(=O)C1=O.[K+].
What is the InChIKey of potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide?
The InChIKey is WWZWTZSDDWLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2O2.K/c1-2-12-3-4-13(5-8(9,10)11)7(15)6(12)14;/h2-5H2,1H3;/q-1;+1.
What are the key properties of potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide?
potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide has a molecular weight of 262.08 g/mol, XLogP of -2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 63701781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).