diethyl(2-methoxypropyl)azanium tetrafluoroborate

C8H20BF4NO — CID 154926132

IUPACdiethyl(2-methoxypropyl)azanium tetrafluoroborate
SMILESCC[NH+](CC)CC(C)OC.F[B-](F)(F)F
InChIInChI=1S/C8H19NO.BF4/c1-5-9(6-2)7-8(3)10-4;2-1(3,4)5/h8H,5-7H2,1-4H3;/q;-1/p+1
InChIKeyWVKCXZAKPGCXDZ-UHFFFAOYSA-O
MW233.06 g/mol
LogP1.25
Rot. Bonds5

About diethyl(2-methoxypropyl)azanium tetrafluoroborate

diethyl(2-methoxypropyl)azanium tetrafluoroborate (PubChem CID 154926132) has the molecular formula C8H20BF4NO and a molecular weight of 233.06 g/mol. Its IUPAC name is diethyl(2-methoxypropyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namediethyl(2-methoxypropyl)azanium tetrafluoroborate
PubChem CID154926132
Molecular FormulaC8H20BF4NO
Molecular Weight233.06 g/mol
Exact Mass233.16
IUPAC Namediethyl(2-methoxypropyl)azanium tetrafluoroborate
SMILESCC[NH+](CC)CC(C)OC.F[B-](F)(F)F
InChIInChI=1S/C8H19NO.BF4/c1-5-9(6-2)7-8(3)10-4;2-1(3,4)5/h8H,5-7H2,1-4H3;/q;-1/p+1
InChIKeyWVKCXZAKPGCXDZ-UHFFFAOYSA-O
XLogP1.25
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(2-methoxypropyl)azanium tetrafluoroborate?
The IUPAC name of diethyl(2-methoxypropyl)azanium tetrafluoroborate (CID 154926132) is diethyl(2-methoxypropyl)azanium tetrafluoroborate.
What is the SMILES notation for diethyl(2-methoxypropyl)azanium tetrafluoroborate?
The canonical SMILES for diethyl(2-methoxypropyl)azanium tetrafluoroborate is CC[NH+](CC)CC(C)OC.F[B-](F)(F)F.
What is the InChIKey of diethyl(2-methoxypropyl)azanium tetrafluoroborate?
The InChIKey is WVKCXZAKPGCXDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO.BF4/c1-5-9(6-2)7-8(3)10-4;2-1(3,4)5/h8H,5-7H2,1-4H3;/q;-1/p+1.
What are the key properties of diethyl(2-methoxypropyl)azanium tetrafluoroborate?
diethyl(2-methoxypropyl)azanium tetrafluoroborate has a molecular weight of 233.06 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-methoxypropyl)azanium tetrafluoroborate is sourced from PubChem (CID 154926132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).