potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide

C7H15BF3KO3 — CID 103407199

About potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide

potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide (PubChem CID 103407199) has the molecular formula C7H15BF3KO3 and a molecular weight of 254.10 g/mol. Its IUPAC name is potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide.

Molecular Properties

• Compound Name: potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide
• PubChem CID: 103407199
• Molecular Formula: C7H15BF3KO3
• Molecular Weight: 254.10 g/mol
• Exact Mass: 254.07
• IUPAC Name: potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide
• SMILES: COCCOCCCOC[B-](F)(F)F.[K+]
• InChI: InChI=1S/C7H15BF3O3.K/c1-12-5-6-13-3-2-4-14-7-8(9,10)11;/h2-7H2,1H3;/q-1;+1
• InChIKey: ABYLESCJLNVIKY-UHFFFAOYSA-N
• XLogP: -1.55
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.10
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide?

The IUPAC name of potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide (CID 103407199) is potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide.

What is the SMILES notation for potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide?

The canonical SMILES for potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide is COCCOCCCOC[B-](F)(F)F.[K+].

What is the InChIKey of potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide?

The InChIKey is ABYLESCJLNVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3O3.K/c1-12-5-6-13-3-2-4-14-7-8(9,10)11;/h2-7H2,1H3;/q-1;+1.

What are the key properties of potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide?

potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide has a molecular weight of 254.10 g/mol, XLogP of -1.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide is sourced from PubChem (CID 103407199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).