benzyl(trimethyl)azanium hexafluorophosphate

C10H16F6NP — CID 22939

IUPACbenzyl(trimethyl)azanium hexafluorophosphate
SMILESC[N+](C)(C)Cc1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
InChIKeyYVHTWMLHAAQMDD-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.28
Rot. Bonds2

About benzyl(trimethyl)azanium hexafluorophosphate

benzyl(trimethyl)azanium hexafluorophosphate (PubChem CID 22939) has the molecular formula C10H16F6NP and a molecular weight of 295.21 g/mol. Its IUPAC name is benzyl(trimethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium hexafluorophosphate
PubChem CID22939
Molecular FormulaC10H16F6NP
Molecular Weight295.21 g/mol
Exact Mass295.09
IUPAC Namebenzyl(trimethyl)azanium hexafluorophosphate
SMILESC[N+](C)(C)Cc1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
InChIKeyYVHTWMLHAAQMDD-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium hexafluorophosphate?
The IUPAC name of benzyl(trimethyl)azanium hexafluorophosphate (CID 22939) is benzyl(trimethyl)azanium hexafluorophosphate.
What is the SMILES notation for benzyl(trimethyl)azanium hexafluorophosphate?
The canonical SMILES for benzyl(trimethyl)azanium hexafluorophosphate is C[N+](C)(C)Cc1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of benzyl(trimethyl)azanium hexafluorophosphate?
The InChIKey is YVHTWMLHAAQMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1.
What are the key properties of benzyl(trimethyl)azanium hexafluorophosphate?
benzyl(trimethyl)azanium hexafluorophosphate has a molecular weight of 295.21 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium hexafluorophosphate is sourced from PubChem (CID 22939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).