tetrapentylazanium hexafluorophosphate

C20H44F6NP — CID 135309206

IUPACtetrapentylazanium hexafluorophosphate
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C20H44N.F6P/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-7(2,3,4,5)6/h5-20H2,1-4H3;/q+1;-1
InChIKeyUFMSMWLZNSCHEU-UHFFFAOYSA-N
MW443.54 g/mol
LogP9.95
Rot. Bonds16

About tetrapentylazanium hexafluorophosphate

tetrapentylazanium hexafluorophosphate (PubChem CID 135309206) has the molecular formula C20H44F6NP and a molecular weight of 443.54 g/mol. Its IUPAC name is tetrapentylazanium hexafluorophosphate.

Molecular Properties

Compound Nametetrapentylazanium hexafluorophosphate
PubChem CID135309206
Molecular FormulaC20H44F6NP
Molecular Weight443.54 g/mol
Exact Mass443.31
IUPAC Nametetrapentylazanium hexafluorophosphate
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C20H44N.F6P/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-7(2,3,4,5)6/h5-20H2,1-4H3;/q+1;-1
InChIKeyUFMSMWLZNSCHEU-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylazanium;tetraethylazanium;dihexafluorophosphate
CID 22559466
pentyl-tri(tridecyl)azanium
CID 87897500
octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406
tetradecyl-tri(tridecyl)azanium
CID 87805804

Frequently Asked Questions

What is the IUPAC name of tetrapentylazanium hexafluorophosphate?
The IUPAC name of tetrapentylazanium hexafluorophosphate (CID 135309206) is tetrapentylazanium hexafluorophosphate.
What is the SMILES notation for tetrapentylazanium hexafluorophosphate?
The canonical SMILES for tetrapentylazanium hexafluorophosphate is CCCCC[N+](CCCCC)(CCCCC)CCCCC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of tetrapentylazanium hexafluorophosphate?
The InChIKey is UFMSMWLZNSCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N.F6P/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-7(2,3,4,5)6/h5-20H2,1-4H3;/q+1;-1.
What are the key properties of tetrapentylazanium hexafluorophosphate?
tetrapentylazanium hexafluorophosphate has a molecular weight of 443.54 g/mol, XLogP of 9.95, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapentylazanium hexafluorophosphate is sourced from PubChem (CID 135309206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).