tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)

C64H144B4F4N8O16 — CID 23116014

IUPACtetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)
SMILESCCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C8H18NO.4BFO2/c8*1-3-4-9(2)5-7-10-8-6-9;4*2-1(3)4/h8*3-8H2,1-2H3;;;;/q8*+1;4*-2
InChIKeyAYJSHCGOAAVVEM-UHFFFAOYSA-N
MW1401.14 g/mol
LogP-2.37
Rot. Bonds16

About tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)

tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium) (PubChem CID 23116014) has the molecular formula C64H144B4F4N8O16 and a molecular weight of 1401.14 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)
PubChem CID23116014
Molecular FormulaC64H144B4F4N8O16
Molecular Weight1401.14 g/mol
Exact Mass1401.10
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)
SMILESCCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C8H18NO.4BFO2/c8*1-3-4-9(2)5-7-10-8-6-9;4*2-1(3)4/h8*3-8H2,1-2H3;;;;/q8*+1;4*-2
InChIKeyAYJSHCGOAAVVEM-UHFFFAOYSA-N
XLogP-2.37
TPSA258.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.14
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium) (CID 23116014) is tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium) is CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.CCC[N+]1(C)CCOCC1.[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(4-methyl-4-propylmorpholin-4-ium)?
The InChIKey is AYJSHCGOAAVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H18NO.4BFO2/c8*1-3-4-9(2)5-7-10-8-6-9;4*2-1(3)4/h8*3-8H2,1-2H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium)?
tetrakis(fluoro(dioxido)borane);octakis(4-methyl-4-propylmorpholin-4-ium) has a molecular weight of 1401.14 g/mol, XLogP of -2.37, 16 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(4-methyl-4-propylmorpholin-4-ium) is sourced from PubChem (CID 23116014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).