tetrapropylazanium tetrafluoroborate

C12H28BF4N — CID 9558

IUPACtetrapropylazanium tetrafluoroborate
SMILESCCC[N+](CCC)(CCC)CCC.F[B-](F)(F)F
InChIInChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1
InChIKeyADADJCUTHQJPCB-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.74
Rot. Bonds8

About tetrapropylazanium tetrafluoroborate

tetrapropylazanium tetrafluoroborate (PubChem CID 9558) has the molecular formula C12H28BF4N and a molecular weight of 273.17 g/mol. Its IUPAC name is tetrapropylazanium tetrafluoroborate.

Molecular Properties

Compound Nametetrapropylazanium tetrafluoroborate
PubChem CID9558
Molecular FormulaC12H28BF4N
Molecular Weight273.17 g/mol
Exact Mass273.23
IUPAC Nametetrapropylazanium tetrafluoroborate
SMILESCCC[N+](CCC)(CCC)CCC.F[B-](F)(F)F
InChIInChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1
InChIKeyADADJCUTHQJPCB-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.74
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 tetrapropylazanium tetrafluoroborate?
The IUPAC name of tetrapropylazanium tetrafluoroborate (CID 9558) is tetrapropylazanium tetrafluoroborate.
What is the SMILES notation for tetrapropylazanium tetrafluoroborate?
The canonical SMILES for tetrapropylazanium tetrafluoroborate is CCC[N+](CCC)(CCC)CCC.F[B-](F)(F)F.
What is the InChIKey of tetrapropylazanium tetrafluoroborate?
The InChIKey is ADADJCUTHQJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1.
What are the key properties of tetrapropylazanium tetrafluoroborate?
tetrapropylazanium tetrafluoroborate has a molecular weight of 273.17 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylazanium tetrafluoroborate is sourced from PubChem (CID 9558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).