bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane

C18H26F9N4O3P — CID 178182595

About bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane

bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane (PubChem CID 178182595) has the molecular formula C18H26F9N4O3P and a molecular weight of 548.39 g/mol. Its IUPAC name is bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane.

Molecular Properties

• Compound Name: bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane
• PubChem CID: 178182595
• Molecular Formula: C18H26F9N4O3P
• Molecular Weight: 548.39 g/mol
• Exact Mass: 548.16
• IUPAC Name: bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane
• SMILES: CCn1cc[n+](C)c1CC(F)(F)C(F)F.CCn1cc[n+](C)c1CC(F)(F)C(F)F.O=P([O-])([O-])F
• InChI: InChI=1S/2C9H13F4N2.FH2O3P/c2*1-3-15-5-4-14(2)7(15)6-9(12,13)8(10)11;1-5(2,3)4/h2*4-5,8H,3,6H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2
• InChIKey: PLNSQUUVWPYXHQ-UHFFFAOYSA-L
• XLogP: 2.34
• TPSA: 80.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane?

The IUPAC name of bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane (CID 178182595) is bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane.

What is the SMILES notation for bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane?

The canonical SMILES for bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane is CCn1cc[n+](C)c1CC(F)(F)C(F)F.CCn1cc[n+](C)c1CC(F)(F)C(F)F.O=P([O-])([O-])F.

What is the InChIKey of bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane?

The InChIKey is PLNSQUUVWPYXHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13F4N2.FH2O3P/c2*1-3-15-5-4-14(2)7(15)6-9(12,13)8(10)11;1-5(2,3)4/h2*4-5,8H,3,6H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2.

What are the key properties of bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane?

bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane has a molecular weight of 548.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 178182595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).