tetrakis(diethylamino)phosphanium hexafluorophosphate

C16H40F6N4P2 — CID 154702067

IUPACtetrakis(diethylamino)phosphanium hexafluorophosphate
SMILESCCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H40N4P.F6P/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;1-7(2,3,4,5)6/h9-16H2,1-8H3;/q+1;-1
InChIKeyOMYPDIFHUVFYPN-UHFFFAOYSA-N
MW464.46 g/mol
LogP7.41
Rot. Bonds12

About tetrakis(diethylamino)phosphanium hexafluorophosphate

tetrakis(diethylamino)phosphanium hexafluorophosphate (PubChem CID 154702067) has the molecular formula C16H40F6N4P2 and a molecular weight of 464.46 g/mol. Its IUPAC name is tetrakis(diethylamino)phosphanium hexafluorophosphate.

Molecular Properties

Compound Nametetrakis(diethylamino)phosphanium hexafluorophosphate
PubChem CID154702067
Molecular FormulaC16H40F6N4P2
Molecular Weight464.46 g/mol
Exact Mass464.26
IUPAC Nametetrakis(diethylamino)phosphanium hexafluorophosphate
SMILESCCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H40N4P.F6P/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;1-7(2,3,4,5)6/h9-16H2,1-8H3;/q+1;-1
InChIKeyOMYPDIFHUVFYPN-UHFFFAOYSA-N
XLogP7.41
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(diethylamino)phosphanium hexafluorophosphate?
The IUPAC name of tetrakis(diethylamino)phosphanium hexafluorophosphate (CID 154702067) is tetrakis(diethylamino)phosphanium hexafluorophosphate.
What is the SMILES notation for tetrakis(diethylamino)phosphanium hexafluorophosphate?
The canonical SMILES for tetrakis(diethylamino)phosphanium hexafluorophosphate is CCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of tetrakis(diethylamino)phosphanium hexafluorophosphate?
The InChIKey is OMYPDIFHUVFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N4P.F6P/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;1-7(2,3,4,5)6/h9-16H2,1-8H3;/q+1;-1.
What are the key properties of tetrakis(diethylamino)phosphanium hexafluorophosphate?
tetrakis(diethylamino)phosphanium hexafluorophosphate has a molecular weight of 464.46 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(diethylamino)phosphanium hexafluorophosphate is sourced from PubChem (CID 154702067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).