hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)

C72H180B6F6O24 — CID 141037879

IUPAChexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/12C6H15O.6BFO2/c12*1-4-7(5-2)6-3;6*2-1(3)4/h12*4-6H2,1-3H3;;;;;;/q12*+1;6*-2
InChIKeyXXRQQTDWJRRXND-UHFFFAOYSA-N
MW1609.07 g/mol
LogP5.15
Rot. Bonds36

About hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)

hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium) (PubChem CID 141037879) has the molecular formula C72H180B6F6O24 and a molecular weight of 1609.07 g/mol. Its IUPAC name is hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium).

Molecular Properties

Compound Namehexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)
PubChem CID141037879
Molecular FormulaC72H180B6F6O24
Molecular Weight1609.07 g/mol
Exact Mass1609.33
IUPAC Namehexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)
SMILESCC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/12C6H15O.6BFO2/c12*1-4-7(5-2)6-3;6*2-1(3)4/h12*4-6H2,1-3H3;;;;;;/q12*+1;6*-2
InChIKeyXXRQQTDWJRRXND-UHFFFAOYSA-N
XLogP5.15
TPSA309.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.07
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)?
The IUPAC name of hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium) (CID 141037879) is hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium).
What is the SMILES notation for hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)?
The canonical SMILES for hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium) is CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)?
The InChIKey is XXRQQTDWJRRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/12C6H15O.6BFO2/c12*1-4-7(5-2)6-3;6*2-1(3)4/h12*4-6H2,1-3H3;;;;;;/q12*+1;6*-2.
What are the key properties of hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium)?
hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium) has a molecular weight of 1609.07 g/mol, XLogP of 5.15, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro(dioxido)borane);dodecakis(triethyloxidanium) is sourced from PubChem (CID 141037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).