diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate

C10H21BF9NO — CID 157061128

IUPACdiethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
SMILESCC[N+](C)(CC)CCOC.FC(F)C(F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H20NO.C2HF5.BF4/c1-5-9(3,6-2)7-8-10-4;3-1(4)2(5,6)7;2-1(3,4)5/h5-8H2,1-4H3;1H;/q+1;;-1
InChIKeyABIPORWQFUOAKA-UHFFFAOYSA-N
MW353.08 g/mol
LogP4.23
Rot. Bonds5

About diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate

diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate (PubChem CID 157061128) has the molecular formula C10H21BF9NO and a molecular weight of 353.08 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate.

Molecular Properties

Compound Namediethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
PubChem CID157061128
Molecular FormulaC10H21BF9NO
Molecular Weight353.08 g/mol
Exact Mass353.16
IUPAC Namediethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
SMILESCC[N+](C)(CC)CCOC.FC(F)C(F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H20NO.C2HF5.BF4/c1-5-9(3,6-2)7-8-10-4;3-1(4)2(5,6)7;2-1(3,4)5/h5-8H2,1-4H3;1H;/q+1;;-1
InChIKeyABIPORWQFUOAKA-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate?
The IUPAC name of diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate (CID 157061128) is diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate.
What is the SMILES notation for diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate?
The canonical SMILES for diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate is CC[N+](C)(CC)CCOC.FC(F)C(F)(F)F.F[B-](F)(F)F.
What is the InChIKey of diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate?
The InChIKey is ABIPORWQFUOAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.C2HF5.BF4/c1-5-9(3,6-2)7-8-10-4;3-1(4)2(5,6)7;2-1(3,4)5/h5-8H2,1-4H3;1H;/q+1;;-1.
What are the key properties of diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate?
diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate has a molecular weight of 353.08 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate is sourced from PubChem (CID 157061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).