methyl(triphenyl)phosphanium hexafluorophosphate

C19H18F6P2 — CID 19831321

IUPACmethyl(triphenyl)phosphanium hexafluorophosphate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C19H18P.F6P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7(2,3,4,5)6/h2-16H,1H3;/q+1;-1
InChIKeyAKRUSXIGCCVIAS-UHFFFAOYSA-N
MW422.29 g/mol
LogP6.99
Rot. Bonds3

About methyl(triphenyl)phosphanium hexafluorophosphate

methyl(triphenyl)phosphanium hexafluorophosphate (PubChem CID 19831321) has the molecular formula C19H18F6P2 and a molecular weight of 422.29 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium hexafluorophosphate.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium hexafluorophosphate
PubChem CID19831321
Molecular FormulaC19H18F6P2
Molecular Weight422.29 g/mol
Exact Mass422.08
IUPAC Namemethyl(triphenyl)phosphanium hexafluorophosphate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C19H18P.F6P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7(2,3,4,5)6/h2-16H,1H3;/q+1;-1
InChIKeyAKRUSXIGCCVIAS-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.29
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)phosphanium hexafluorophosphate?
The IUPAC name of methyl(triphenyl)phosphanium hexafluorophosphate (CID 19831321) is methyl(triphenyl)phosphanium hexafluorophosphate.
What is the SMILES notation for methyl(triphenyl)phosphanium hexafluorophosphate?
The canonical SMILES for methyl(triphenyl)phosphanium hexafluorophosphate is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of methyl(triphenyl)phosphanium hexafluorophosphate?
The InChIKey is AKRUSXIGCCVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18P.F6P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-7(2,3,4,5)6/h2-16H,1H3;/q+1;-1.
What are the key properties of methyl(triphenyl)phosphanium hexafluorophosphate?
methyl(triphenyl)phosphanium hexafluorophosphate has a molecular weight of 422.29 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium hexafluorophosphate is sourced from PubChem (CID 19831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).