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

C88H168B4F4N16O8 — CID 173104205

IUPACtetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)
SMILESCCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H21N2.4BFO2/c8*1-4-5-6-7-8-13-10-9-12(3)11(13)2;4*2-1(3)4/h8*9-10H,4-8H2,1-3H3;;;;/q8*+1;4*-2
InChIKeyMWPQDYVKRQBPCN-UHFFFAOYSA-N
MW1697.66 g/mol
LogP8.26
Rot. Bonds40

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

tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium) (PubChem CID 173104205) has the molecular formula C88H168B4F4N16O8 and a molecular weight of 1697.66 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)
PubChem CID173104205
Molecular FormulaC88H168B4F4N16O8
Molecular Weight1697.66 g/mol
Exact Mass1697.35
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)
SMILESCCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H21N2.4BFO2/c8*1-4-5-6-7-8-13-10-9-12(3)11(13)2;4*2-1(3)4/h8*9-10H,4-8H2,1-3H3;;;;/q8*+1;4*-2
InChIKeyMWPQDYVKRQBPCN-UHFFFAOYSA-N
XLogP8.26
TPSA254.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.66
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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'}

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Related Compounds

tetrakis(fluoro(dioxido)borane);octakis(1-hexadecyl-2,3-dimethylimidazol-3-ium)
CID 173164834
octakis(1-butyl-2,3-dimethylimidazol-3-ium);tetrakis(fluoro(dioxido)borane)
CID 173003963
1-dodecyl-2,3-dimethylimidazol-3-ium bromide
CID 87228975
1-hexyl-2,3-dimethylimidazol-3-ium tritetrafluoroborate
CID 173080776
1-decyl-2,3-dimethylimidazol-3-ium;tetrafluoroborate;hydrobromide
CID 173037633
bis(1-butyl-2,3-dimethylimidazol-3-ium) dichloride
CID 141338372
iodanium 1-butyl-2,3-dimethylimidazol-3-ium
CID 172822864
1,2-dimethyl-3-[(Z)-octadec-9-enyl]imidazol-1-ium
CID 102311499
1-butyl-2,3-dimethylimidazol-3-ium;pentakis(1-butyl-3-methylimidazol-3-ium);1-hexyl-3-methylimidazol-3-ium;methane
CID 167565507
1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonic acid
CID 159228243
1-butyl-2,3-dimethylimidazol-3-ium benzoate
CID 87436248
1-decyl-3-heptyl-2-methylimidazol-3-ium
CID 87808464

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium) (CID 173104205) is tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium) is CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[n+](C)c1C.CCCCCCn1cc[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-hexyl-2,3-dimethylimidazol-3-ium)?
The InChIKey is MWPQDYVKRQBPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H21N2.4BFO2/c8*1-4-5-6-7-8-13-10-9-12(3)11(13)2;4*2-1(3)4/h8*9-10H,4-8H2,1-3H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium)?
tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-2,3-dimethylimidazol-3-ium) has a molecular weight of 1697.66 g/mol, XLogP of 8.26, 40 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-hexyl-2,3-dimethylimidazol-3-ium) is sourced from PubChem (CID 173104205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).