tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)

C88H192B4F4N8O8 — CID 173104248

IUPACtetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)
SMILESCCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H24N.4BFO2/c8*1-3-4-5-6-9-12(2)10-7-8-11-12;4*2-1(3)4/h8*3-11H2,1-2H3;;;;/q8*+1;4*-2
InChIKeySUXWMJLQDPKRBE-UHFFFAOYSA-N
MW1609.79 g/mol
LogP13.10
Rot. Bonds40

About tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)

tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) (PubChem CID 173104248) has the molecular formula C88H192B4F4N8O8 and a molecular weight of 1609.79 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)
PubChem CID173104248
Molecular FormulaC88H192B4F4N8O8
Molecular Weight1609.79 g/mol
Exact Mass1609.52
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)
SMILESCCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C11H24N.4BFO2/c8*1-3-4-5-6-9-12(2)10-7-8-11-12;4*2-1(3)4/h8*3-11H2,1-2H3;;;;/q8*+1;4*-2
InChIKeySUXWMJLQDPKRBE-UHFFFAOYSA-N
XLogP13.10
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001609.79
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
tetrakis(dioxidoboranylformonitrile);octakis(1-methyl-1-octylpiperidin-1-ium)
CID 173041400
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
1-heptyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 171569555
1-hexyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 86213059
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-octylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87356479
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
1-decyl-1-methylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615535

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) (CID 173104248) is tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) is CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.[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-1-methylpyrrolidin-1-ium)?
The InChIKey is SUXWMJLQDPKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H24N.4BFO2/c8*1-3-4-5-6-9-12(2)10-7-8-11-12;4*2-1(3)4/h8*3-11H2,1-2H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium)?
tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) has a molecular weight of 1609.79 g/mol, XLogP of 13.10, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis(1-hexyl-1-methylpyrrolidin-1-ium) is sourced from PubChem (CID 173104248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).