tetrakis(diethylamino)phosphanium tetrafluoroborate

C16H40BF4N4P — CID 15443114

IUPACtetrakis(diethylamino)phosphanium tetrafluoroborate
SMILESCCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q+1;-1
InChIKeyNSHFCMZCOVLMAS-UHFFFAOYSA-N
MW406.30 g/mol
LogP5.33
Rot. Bonds12

About tetrakis(diethylamino)phosphanium tetrafluoroborate

tetrakis(diethylamino)phosphanium tetrafluoroborate (PubChem CID 15443114) has the molecular formula C16H40BF4N4P and a molecular weight of 406.30 g/mol. Its IUPAC name is tetrakis(diethylamino)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametetrakis(diethylamino)phosphanium tetrafluoroborate
PubChem CID15443114
Molecular FormulaC16H40BF4N4P
Molecular Weight406.30 g/mol
Exact Mass406.30
IUPAC Nametetrakis(diethylamino)phosphanium tetrafluoroborate
SMILESCCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q+1;-1
InChIKeyNSHFCMZCOVLMAS-UHFFFAOYSA-N
XLogP5.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(diethylamino)phosphanium tetrafluoroborate?
The IUPAC name of tetrakis(diethylamino)phosphanium tetrafluoroborate (CID 15443114) is tetrakis(diethylamino)phosphanium tetrafluoroborate.
What is the SMILES notation for tetrakis(diethylamino)phosphanium tetrafluoroborate?
The canonical SMILES for tetrakis(diethylamino)phosphanium tetrafluoroborate is CCN(CC)[P+](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F.
What is the InChIKey of tetrakis(diethylamino)phosphanium tetrafluoroborate?
The InChIKey is NSHFCMZCOVLMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q+1;-1.
What are the key properties of tetrakis(diethylamino)phosphanium tetrafluoroborate?
tetrakis(diethylamino)phosphanium tetrafluoroborate has a molecular weight of 406.30 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(diethylamino)phosphanium tetrafluoroborate is sourced from PubChem (CID 15443114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).