diethyl-methoxy-propylazanium hexafluorophosphate

C8H20F6NOP — CID 174873592

IUPACdiethyl-methoxy-propylazanium hexafluorophosphate
SMILESCCC[N+](CC)(CC)OC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H20NO.F6P/c1-5-8-9(6-2,7-3)10-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
InChIKeyKUPBZAGZABHHOK-UHFFFAOYSA-N
MW291.22 g/mol
LogP5.20
Rot. Bonds5

About diethyl-methoxy-propylazanium hexafluorophosphate

diethyl-methoxy-propylazanium hexafluorophosphate (PubChem CID 174873592) has the molecular formula C8H20F6NOP and a molecular weight of 291.22 g/mol. Its IUPAC name is diethyl-methoxy-propylazanium hexafluorophosphate.

Molecular Properties

Compound Namediethyl-methoxy-propylazanium hexafluorophosphate
PubChem CID174873592
Molecular FormulaC8H20F6NOP
Molecular Weight291.22 g/mol
Exact Mass291.12
IUPAC Namediethyl-methoxy-propylazanium hexafluorophosphate
SMILESCCC[N+](CC)(CC)OC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H20NO.F6P/c1-5-8-9(6-2,7-3)10-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
InChIKeyKUPBZAGZABHHOK-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

diethyl-methoxy-propylazanium tetrafluoroborate
CID 174843693
diethyl-(2-hydroxyethyl)-methoxyazanium
CID 16735613
ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148
dibutyl-methoxy-pentylazanium
CID 174501319
tetrabutylazanium;tetraethylazanium;dihexafluorophosphate
CID 22559466
ethyl-methoxy-dioctylazanium;propanoate
CID 19091174
tetrapentylazanium hexafluorophosphate
CID 135309206
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
butyl-ethoxy-dipropylazanium
CID 87333997
hexyl(trimethyl)azanium hexafluorophosphate
CID 121234264
ethyl-(methoxymethyl)-methyl-propylazanium
CID 87334000
ruthenium dihexafluorophosphate
CID 175472696

Frequently Asked Questions

What is the IUPAC name of diethyl-methoxy-propylazanium hexafluorophosphate?
The IUPAC name of diethyl-methoxy-propylazanium hexafluorophosphate (CID 174873592) is diethyl-methoxy-propylazanium hexafluorophosphate.
What is the SMILES notation for diethyl-methoxy-propylazanium hexafluorophosphate?
The canonical SMILES for diethyl-methoxy-propylazanium hexafluorophosphate is CCC[N+](CC)(CC)OC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of diethyl-methoxy-propylazanium hexafluorophosphate?
The InChIKey is KUPBZAGZABHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.F6P/c1-5-8-9(6-2,7-3)10-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of diethyl-methoxy-propylazanium hexafluorophosphate?
diethyl-methoxy-propylazanium hexafluorophosphate has a molecular weight of 291.22 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-propylazanium hexafluorophosphate is sourced from PubChem (CID 174873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).