Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide

C₇H₁₆BF₃KNO — CID 63691795

About Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide

Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide (PubChem CID 63691795) has the molecular formula C₇H₁₆BF₃KNO and a molecular weight of 237.11 g/mol. Its IUPAC name is potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide.

Molecular Properties

• Compound Name: Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
• PubChem CID: 63691795
• Molecular Formula: C₇H₁₆BF₃KNO
• Molecular Weight: 237.11 g/mol
• Exact Mass: 237.09
• IUPAC Name: potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
• SMILES: CCOCCN(CC)C[B-](F)(F)F.[K+]
• InChI: InChI=1S/C7H16BF3NO.K/c1-3-12(5-6-13-4-2)7-8(9,10)11;/h3-7H2,1-2H3;/q-1;+1
• InChIKey: ALGFUOFOPWWMPZ-UHFFFAOYSA-N
• XLogP: -1.26
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.11
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?

The IUPAC name of Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide (CID 63691795) is potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide.

What is the SMILES notation for Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?

The canonical SMILES for Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide is CCOCCN(CC)C[B-](F)(F)F.[K+].

What is the InChIKey of Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?

The InChIKey is ALGFUOFOPWWMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BF3NO.K/c1-3-12(5-6-13-4-2)7-8(9,10)11;/h3-7H2,1-2H3;/q-1;+1.

What are the key properties of Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide?

Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide has a molecular weight of 237.11 g/mol, XLogP of -1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63691795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63691795 — identifiers, structure, computed properties (public domain)

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