tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate

C7H18F6NO6P — CID 174506385

IUPACtris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
SMILESC[N+](OCCO)(OCCO)OCCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H18NO6.F6P/c1-8(12-5-2-9,13-6-3-10)14-7-4-11;1-7(2,3,4,5)6/h9-11H,2-7H2,1H3;/q+1;-1
InChIKeyWASSZTBXDMXBBS-UHFFFAOYSA-N
MW357.18 g/mol
LogP1.59
Rot. Bonds9

About tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate

tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate (PubChem CID 174506385) has the molecular formula C7H18F6NO6P and a molecular weight of 357.18 g/mol. Its IUPAC name is tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate.

Molecular Properties

Compound Nametris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
PubChem CID174506385
Molecular FormulaC7H18F6NO6P
Molecular Weight357.18 g/mol
Exact Mass357.08
IUPAC Nametris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
SMILESC[N+](OCCO)(OCCO)OCCO.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H18NO6.F6P/c1-8(12-5-2-9,13-6-3-10)14-7-4-11;1-7(2,3,4,5)6/h9-11H,2-7H2,1H3;/q+1;-1
InChIKeyWASSZTBXDMXBBS-UHFFFAOYSA-N
XLogP1.59
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl sulfate;tris(2-hydroxyethoxy)-methylazanium
CID 87130056
2-hydroxyethoxy(trimethyl)azanium bromide
CID 174869797
difluoro-bis(2-hydroxyethoxy)azanium
CID 87095875
trihydroxy(oxido)silane;tris(3-hydroxypropoxy)-methylazanium
CID 173185324
potassium;2-ethoxyethanol;hexafluorophosphate
CID 174932097
tris(2-hydroxyethoxy)-propylazanium
CID 88748271
bis(2-hydroxyethoxy)-dipropylazanium
CID 88798056
2-methoxyethanol;sulfane
CID 174965249
ethane-1,2-diol;tetramethylazanium
CID 172788906
2-hydroxyethyl hypofluorite
CID 22960076
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-methylazanium
CID 170672450
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
CID 166692262

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate?
The IUPAC name of tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate (CID 174506385) is tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate.
What is the SMILES notation for tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate?
The canonical SMILES for tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate is C[N+](OCCO)(OCCO)OCCO.F[P-](F)(F)(F)(F)F.
What is the InChIKey of tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate?
The InChIKey is WASSZTBXDMXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO6.F6P/c1-8(12-5-2-9,13-6-3-10)14-7-4-11;1-7(2,3,4,5)6/h9-11H,2-7H2,1H3;/q+1;-1.
What are the key properties of tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate?
tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate has a molecular weight of 357.18 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate is sourced from PubChem (CID 174506385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).