Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide

C₉H₁₃BF₃KO₂ — CID 155822267

About Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide

Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide (PubChem CID 155822267) has the molecular formula C₉H₁₃BF₃KO₂ and a molecular weight of 260.10 g/mol. Its IUPAC name is potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide.

Molecular Properties

• Compound Name: Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
• PubChem CID: 155822267
• Molecular Formula: C₉H₁₃BF₃KO₂
• Molecular Weight: 260.10 g/mol
• Exact Mass: 260.06
• IUPAC Name: potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
• SMILES: COC(=O)/C=C(\C1CCCC1)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C9H13BF3O2.K/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7;/h6-7H,2-5H2,1H3;/q-1;+1/b8-6+
• InChIKey: SVCKXMLQELVTNF-WVLIHFOGSA-N
• XLogP: -0.33
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.10
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?

The IUPAC name of Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide (CID 155822267) is potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide.

What is the SMILES notation for Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?

The canonical SMILES for Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide is COC(=O)/C=C(\C1CCCC1)[B-](F)(F)F.[K+].

What is the InChIKey of Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?

The InChIKey is SVCKXMLQELVTNF-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H13BF3O2.K/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7;/h6-7H,2-5H2,1H3;/q-1;+1/b8-6+;.

What are the key properties of Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?

Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide has a molecular weight of 260.10 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide is sourced from PubChem (CID 155822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155822267 — identifiers, structure, computed properties (public domain)

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