tetraethylazanium tetrafluoroborate

C8H20BF4N — CID 2724277

IUPACtetraethylazanium tetrafluoroborate
SMILESCC[N+](CC)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
InChIKeyXJRAKUDXACGCHA-UHFFFAOYSA-N
MW217.06 g/mol
LogP3.18
Rot. Bonds4

About tetraethylazanium tetrafluoroborate

tetraethylazanium tetrafluoroborate (PubChem CID 2724277) has the molecular formula C8H20BF4N and a molecular weight of 217.06 g/mol. Its IUPAC name is tetraethylazanium tetrafluoroborate.

Molecular Properties

Compound Nametetraethylazanium tetrafluoroborate
PubChem CID2724277
Molecular FormulaC8H20BF4N
Molecular Weight217.06 g/mol
Exact Mass217.16
IUPAC Nametetraethylazanium tetrafluoroborate
SMILESCC[N+](CC)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
InChIKeyXJRAKUDXACGCHA-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tetraethylazanium tetrafluoroborate?
The IUPAC name of tetraethylazanium tetrafluoroborate (CID 2724277) is tetraethylazanium tetrafluoroborate.
What is the SMILES notation for tetraethylazanium tetrafluoroborate?
The canonical SMILES for tetraethylazanium tetrafluoroborate is CC[N+](CC)(CC)CC.F[B-](F)(F)F.
What is the InChIKey of tetraethylazanium tetrafluoroborate?
The InChIKey is XJRAKUDXACGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of tetraethylazanium tetrafluoroborate?
tetraethylazanium tetrafluoroborate has a molecular weight of 217.06 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium tetrafluoroborate is sourced from PubChem (CID 2724277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).