tetrabutylazanium;tetraethylazanium;dihexafluorophosphate

C24H56F12N2P2 — CID 22559466

IUPACtetrabutylazanium;tetraethylazanium;dihexafluorophosphate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H36N.C8H20N.2F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-9(6-2,7-3)8-4;2*1-7(2,3,4,5)6/h5-16H2,1-4H3;5-8H2,1-4H3;;/q2*+1;2*-1
InChIKeySEBQRBJLHOPSNM-UHFFFAOYSA-N
MW662.65 g/mol
LogP13.65
Rot. Bonds16

About tetrabutylazanium;tetraethylazanium;dihexafluorophosphate

tetrabutylazanium;tetraethylazanium;dihexafluorophosphate (PubChem CID 22559466) has the molecular formula C24H56F12N2P2 and a molecular weight of 662.65 g/mol. Its IUPAC name is tetrabutylazanium;tetraethylazanium;dihexafluorophosphate.

Molecular Properties

Compound Nametetrabutylazanium;tetraethylazanium;dihexafluorophosphate
PubChem CID22559466
Molecular FormulaC24H56F12N2P2
Molecular Weight662.65 g/mol
Exact Mass662.37
IUPAC Nametetrabutylazanium;tetraethylazanium;dihexafluorophosphate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H36N.C8H20N.2F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-9(6-2,7-3)8-4;2*1-7(2,3,4,5)6/h5-16H2,1-4H3;5-8H2,1-4H3;;/q2*+1;2*-1
InChIKeySEBQRBJLHOPSNM-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.65
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrapentylazanium hexafluorophosphate
CID 135309206
dibutyl(diethyl)azanium;titanium
CID 175271824
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
diethyl(dipentyl)azanium bromide
CID 87777355
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
didecyl-ethyl-octylazanium
CID 172694602
diethyl-di(icosyl)azanium
CID 14009114
triethyl(tetradecyl)azanium
CID 28911

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;tetraethylazanium;dihexafluorophosphate?
The IUPAC name of tetrabutylazanium;tetraethylazanium;dihexafluorophosphate (CID 22559466) is tetrabutylazanium;tetraethylazanium;dihexafluorophosphate.
What is the SMILES notation for tetrabutylazanium;tetraethylazanium;dihexafluorophosphate?
The canonical SMILES for tetrabutylazanium;tetraethylazanium;dihexafluorophosphate is CCCC[N+](CCCC)(CCCC)CCCC.CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of tetrabutylazanium;tetraethylazanium;dihexafluorophosphate?
The InChIKey is SEBQRBJLHOPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C8H20N.2F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5-9(6-2,7-3)8-4;2*1-7(2,3,4,5)6/h5-16H2,1-4H3;5-8H2,1-4H3;;/q2*+1;2*-1.
What are the key properties of tetrabutylazanium;tetraethylazanium;dihexafluorophosphate?
tetrabutylazanium;tetraethylazanium;dihexafluorophosphate has a molecular weight of 662.65 g/mol, XLogP of 13.65, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;tetraethylazanium;dihexafluorophosphate is sourced from PubChem (CID 22559466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).