hexyl(trimethyl)azanium hexafluorophosphate

C9H22F6NP — CID 121234264

IUPAChexyl(trimethyl)azanium hexafluorophosphate
SMILESCCCCCC[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22N.F6P/c1-5-6-7-8-9-10(2,3)4;1-7(2,3,4,5)6/h5-9H2,1-4H3;/q+1;-1
InChIKeyBNAVQMALJFRYMU-UHFFFAOYSA-N
MW289.24 g/mol
LogP5.66
Rot. Bonds5

About hexyl(trimethyl)azanium hexafluorophosphate

hexyl(trimethyl)azanium hexafluorophosphate (PubChem CID 121234264) has the molecular formula C9H22F6NP and a molecular weight of 289.24 g/mol. Its IUPAC name is hexyl(trimethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Namehexyl(trimethyl)azanium hexafluorophosphate
PubChem CID121234264
Molecular FormulaC9H22F6NP
Molecular Weight289.24 g/mol
Exact Mass289.14
IUPAC Namehexyl(trimethyl)azanium hexafluorophosphate
SMILESCCCCCC[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22N.F6P/c1-5-6-7-8-9-10(2,3)4;1-7(2,3,4,5)6/h5-9H2,1-4H3;/q+1;-1
InChIKeyBNAVQMALJFRYMU-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.24
LogP ≤ 55.66
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

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of hexyl(trimethyl)azanium hexafluorophosphate?
The IUPAC name of hexyl(trimethyl)azanium hexafluorophosphate (CID 121234264) is hexyl(trimethyl)azanium hexafluorophosphate.
What is the SMILES notation for hexyl(trimethyl)azanium hexafluorophosphate?
The canonical SMILES for hexyl(trimethyl)azanium hexafluorophosphate is CCCCCC[N+](C)(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of hexyl(trimethyl)azanium hexafluorophosphate?
The InChIKey is BNAVQMALJFRYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.F6P/c1-5-6-7-8-9-10(2,3)4;1-7(2,3,4,5)6/h5-9H2,1-4H3;/q+1;-1.
What are the key properties of hexyl(trimethyl)azanium hexafluorophosphate?
hexyl(trimethyl)azanium hexafluorophosphate has a molecular weight of 289.24 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trimethyl)azanium hexafluorophosphate is sourced from PubChem (CID 121234264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).