ethyl(triphenyl)phosphanium hexafluorophosphate

C20H20F6P2 — CID 22677091

IUPACethyl(triphenyl)phosphanium hexafluorophosphate
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C20H20P.F6P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-7(2,3,4,5)6/h3-17H,2H2,1H3;/q+1;-1
InChIKeyUYXQQARERGLODV-UHFFFAOYSA-N
MW436.32 g/mol
LogP7.38
Rot. Bonds4

About ethyl(triphenyl)phosphanium hexafluorophosphate

ethyl(triphenyl)phosphanium hexafluorophosphate (PubChem CID 22677091) has the molecular formula C20H20F6P2 and a molecular weight of 436.32 g/mol. Its IUPAC name is ethyl(triphenyl)phosphanium hexafluorophosphate.

Molecular Properties

Compound Nameethyl(triphenyl)phosphanium hexafluorophosphate
PubChem CID22677091
Molecular FormulaC20H20F6P2
Molecular Weight436.32 g/mol
Exact Mass436.09
IUPAC Nameethyl(triphenyl)phosphanium hexafluorophosphate
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C20H20P.F6P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-7(2,3,4,5)6/h3-17H,2H2,1H3;/q+1;-1
InChIKeyUYXQQARERGLODV-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
ethyl(triphenyl)phosphanium;trifluorocopper(1-)
CID 19429065
CID 172998208
CID 172998208
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
diiodonickel;ethyl(triphenyl)phosphanium
CID 160550890
ethyl-(3-fluorophenyl)-diphenylphosphanium
CID 174725265
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578

Frequently Asked Questions

What is the IUPAC name of ethyl(triphenyl)phosphanium hexafluorophosphate?
The IUPAC name of ethyl(triphenyl)phosphanium hexafluorophosphate (CID 22677091) is ethyl(triphenyl)phosphanium hexafluorophosphate.
What is the SMILES notation for ethyl(triphenyl)phosphanium hexafluorophosphate?
The canonical SMILES for ethyl(triphenyl)phosphanium hexafluorophosphate is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of ethyl(triphenyl)phosphanium hexafluorophosphate?
The InChIKey is UYXQQARERGLODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20P.F6P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-7(2,3,4,5)6/h3-17H,2H2,1H3;/q+1;-1.
What are the key properties of ethyl(triphenyl)phosphanium hexafluorophosphate?
ethyl(triphenyl)phosphanium hexafluorophosphate has a molecular weight of 436.32 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(triphenyl)phosphanium hexafluorophosphate is sourced from PubChem (CID 22677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).