1-methylimidazole;phosphoric acid;hexahydrofluoride

C₄H₁₅F₆N₂O₄P — CID 158112836

About 1-methylimidazole;phosphoric acid;hexahydrofluoride

1-methylimidazole;phosphoric acid;hexahydrofluoride (PubChem CID 158112836) has the molecular formula C₄H₁₅F₆N₂O₄P and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-methylimidazole;phosphoric acid;hexahydrofluoride.

Molecular Properties

• Compound Name: 1-methylimidazole;phosphoric acid;hexahydrofluoride
• PubChem CID: 158112836
• Molecular Formula: C₄H₁₅F₆N₂O₄P
• Molecular Weight: 300.14 g/mol
• Exact Mass: 300.07
• IUPAC Name: 1-methylimidazole;phosphoric acid;hexahydrofluoride
• SMILES: Cn1ccnc1.F.F.F.F.F.F.O=P(O)(O)O
• InChI: InChI=1S/C4H6N2.6FH.H3O4P/c1-6-3-2-5-4-6;;;;;;;1-5(2,3)4/h2-4H,1H3;6*1H;(H3,1,2,3,4)
• InChIKey: SLNCFWANFXLOGL-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 95.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.14
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;phosphoric acid;hexahydrofluoride?

The IUPAC name of 1-methylimidazole;phosphoric acid;hexahydrofluoride (CID 158112836) is 1-methylimidazole;phosphoric acid;hexahydrofluoride.

What is the SMILES notation for 1-methylimidazole;phosphoric acid;hexahydrofluoride?

The canonical SMILES for 1-methylimidazole;phosphoric acid;hexahydrofluoride is Cn1ccnc1.F.F.F.F.F.F.O=P(O)(O)O.

What is the InChIKey of 1-methylimidazole;phosphoric acid;hexahydrofluoride?

The InChIKey is SLNCFWANFXLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.6FH.H3O4P/c1-6-3-2-5-4-6;;;;;;;1-5(2,3)4/h2-4H,1H3;6*1H;(H3,1,2,3,4).

What are the key properties of 1-methylimidazole;phosphoric acid;hexahydrofluoride?

1-methylimidazole;phosphoric acid;hexahydrofluoride has a molecular weight of 300.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;phosphoric acid;hexahydrofluoride is sourced from PubChem (CID 158112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158112836 — identifiers, structure, computed properties (public domain)

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