2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate

C12H28F6NOP — CID 177164068

IUPAC2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
SMILESCCCCCCCC[N+](C)(C)CCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C12H28NO.F6P/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;1-7(2,3,4,5)6/h14H,4-12H2,1-3H3;/q+1;-1
InChIKeyIAKFHAXEDZYNNL-UHFFFAOYSA-N
MW347.32 g/mol
LogP5.80
Rot. Bonds9

About 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate

2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate (PubChem CID 177164068) has the molecular formula C12H28F6NOP and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
PubChem CID177164068
Molecular FormulaC12H28F6NOP
Molecular Weight347.32 g/mol
Exact Mass347.18
IUPAC Name2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
SMILESCCCCCCCC[N+](C)(C)CCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C12H28NO.F6P/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;1-7(2,3,4,5)6/h14H,4-12H2,1-3H3;/q+1;-1
InChIKeyIAKFHAXEDZYNNL-UHFFFAOYSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.32
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846
2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
CID 153362920
2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
CID 174836924
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
5-[dimethyl(propyl)azaniumyl]pentyl-(2-hydroxyethyl)-dimethylazanium dibromide
CID 159049358
dimethyl(dioctadecyl)azanium tetrafluoroborate
CID 87344240
didodecyl(dimethyl)azanium tetrafluoroborate
CID 87359558

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate?
The IUPAC name of 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate (CID 177164068) is 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate?
The canonical SMILES for 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate is CCCCCCCC[N+](C)(C)CCO.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate?
The InChIKey is IAKFHAXEDZYNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO.F6P/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;1-7(2,3,4,5)6/h14H,4-12H2,1-3H3;/q+1;-1.
What are the key properties of 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate?
2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate has a molecular weight of 347.32 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate is sourced from PubChem (CID 177164068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).