azane;trimethyl(phenyl)azanium;hexafluorophosphate

C9H17F6N2P — CID 175267450

IUPACazane;trimethyl(phenyl)azanium;hexafluorophosphate
SMILESC[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F.N
InChIInChI=1S/C9H14N.F6P.H3N/c1-10(2,3)9-7-5-4-6-8-9;1-7(2,3,4,5)6;/h4-8H,1-3H3;;1H3/q+1;-1;
InChIKeySFUIGFUEUGYESE-UHFFFAOYSA-N
MW298.21 g/mol
LogP5.43
Rot. Bonds1

About azane;trimethyl(phenyl)azanium;hexafluorophosphate

azane;trimethyl(phenyl)azanium;hexafluorophosphate (PubChem CID 175267450) has the molecular formula C9H17F6N2P and a molecular weight of 298.21 g/mol. Its IUPAC name is azane;trimethyl(phenyl)azanium;hexafluorophosphate.

Molecular Properties

Compound Nameazane;trimethyl(phenyl)azanium;hexafluorophosphate
PubChem CID175267450
Molecular FormulaC9H17F6N2P
Molecular Weight298.21 g/mol
Exact Mass298.10
IUPAC Nameazane;trimethyl(phenyl)azanium;hexafluorophosphate
SMILESC[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F.N
InChIInChI=1S/C9H14N.F6P.H3N/c1-10(2,3)9-7-5-4-6-8-9;1-7(2,3,4,5)6;/h4-8H,1-3H3;;1H3/q+1;-1;
InChIKeySFUIGFUEUGYESE-UHFFFAOYSA-N
XLogP5.43
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.21
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
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chloroalumane;trimethyl(phenyl)azanium;chloride
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ethanolate;trimethyl(phenyl)azanium
CID 12512092
ethyl-dimethyl-phenylazanium hexafluorophosphate
CID 139243460
trimethyl(phenyl)azanium permanganate
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CID 12504234
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CID 159524097
oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
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CID 70571170
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CID 172808382

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl(phenyl)azanium;hexafluorophosphate?
The IUPAC name of azane;trimethyl(phenyl)azanium;hexafluorophosphate (CID 175267450) is azane;trimethyl(phenyl)azanium;hexafluorophosphate.
What is the SMILES notation for azane;trimethyl(phenyl)azanium;hexafluorophosphate?
The canonical SMILES for azane;trimethyl(phenyl)azanium;hexafluorophosphate is C[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F.N.
What is the InChIKey of azane;trimethyl(phenyl)azanium;hexafluorophosphate?
The InChIKey is SFUIGFUEUGYESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.F6P.H3N/c1-10(2,3)9-7-5-4-6-8-9;1-7(2,3,4,5)6;/h4-8H,1-3H3;;1H3/q+1;-1;.
What are the key properties of azane;trimethyl(phenyl)azanium;hexafluorophosphate?
azane;trimethyl(phenyl)azanium;hexafluorophosphate has a molecular weight of 298.21 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(phenyl)azanium;hexafluorophosphate is sourced from PubChem (CID 175267450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).