tris(diethylamino)phosphanium tetrafluoroborate

C12H31BF4N3P — CID 10991268

IUPACtris(diethylamino)phosphanium tetrafluoroborate
SMILESCCN(CC)[PH+](N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C12H30N3P.BF4/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;2-1(3,4)5/h7-12H2,1-6H3;/q;-1/p+1
InChIKeyZPOHRCIUQSDAEB-UHFFFAOYSA-O
MW335.18 g/mol
LogP4.27
Rot. Bonds9

About tris(diethylamino)phosphanium tetrafluoroborate

tris(diethylamino)phosphanium tetrafluoroborate (PubChem CID 10991268) has the molecular formula C12H31BF4N3P and a molecular weight of 335.18 g/mol. Its IUPAC name is tris(diethylamino)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametris(diethylamino)phosphanium tetrafluoroborate
PubChem CID10991268
Molecular FormulaC12H31BF4N3P
Molecular Weight335.18 g/mol
Exact Mass335.23
IUPAC Nametris(diethylamino)phosphanium tetrafluoroborate
SMILESCCN(CC)[PH+](N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C12H30N3P.BF4/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;2-1(3,4)5/h7-12H2,1-6H3;/q;-1/p+1
InChIKeyZPOHRCIUQSDAEB-UHFFFAOYSA-O
XLogP4.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tris(diethylamino)phosphanium tetrafluoroborate?
The IUPAC name of tris(diethylamino)phosphanium tetrafluoroborate (CID 10991268) is tris(diethylamino)phosphanium tetrafluoroborate.
What is the SMILES notation for tris(diethylamino)phosphanium tetrafluoroborate?
The canonical SMILES for tris(diethylamino)phosphanium tetrafluoroborate is CCN(CC)[PH+](N(CC)CC)N(CC)CC.F[B-](F)(F)F.
What is the InChIKey of tris(diethylamino)phosphanium tetrafluoroborate?
The InChIKey is ZPOHRCIUQSDAEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H30N3P.BF4/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;2-1(3,4)5/h7-12H2,1-6H3;/q;-1/p+1.
What are the key properties of tris(diethylamino)phosphanium tetrafluoroborate?
tris(diethylamino)phosphanium tetrafluoroborate has a molecular weight of 335.18 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylamino)phosphanium tetrafluoroborate is sourced from PubChem (CID 10991268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).