tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)

C168H328B4F4N16O8 — CID 173164834

About tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)

tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium) (PubChem CID 173164834) has the molecular formula C168H328B4F4N16O8 and a molecular weight of 2819.82 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium).

Molecular Properties

• Compound Name: tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)
• PubChem CID: 173164834
• Molecular Formula: C168H328B4F4N16O8
• Molecular Weight: 2819.82 g/mol
• Exact Mass: 2818.61
• IUPAC Name: tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)
• SMILES: CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
• InChI: InChI=1S/8C21H41N2.4BFO2/c8*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(3)21(23)2;4*2-1(3)4/h8*19-20H,4-18H2,1-3H3;;;;/q8*+1;4*-2
• InChIKey: MJFZNVDHNOZDQT-UHFFFAOYSA-N
• XLogP: 39.46
• TPSA: 254.96 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 120
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2819.82
LogP ≤ 5	39.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)?

The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium) (CID 173164834) is tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium).

What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)?

The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium) is CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.CCCCCCCCCCCCCCCCn1cc[n+](C)c1C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.

What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)?

The InChIKey is MJFZNVDHNOZDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/8C21H41N2.4BFO2/c8*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(3)21(23)2;4*2-1(3)4/h8*19-20H,4-18H2,1-3H3;;;;/q8*+1;4*-2.

What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)?

tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium) has a molecular weight of 2819.82 g/mol, XLogP of 39.46, 120 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium) is sourced from PubChem (CID 173164834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).