2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate

C7H16BF4NO — CID 174842729

IUPAC2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate
SMILESCCC1C[NH+](C)CCO1.F[B-](F)(F)F
InChIInChI=1S/C7H15NO.BF4/c1-3-7-6-8(2)4-5-9-7;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyVMFGAUVCSVALOX-UHFFFAOYSA-O
MW217.01 g/mol
LogP0.61
Rot. Bonds1

About 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate

2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate (PubChem CID 174842729) has the molecular formula C7H16BF4NO and a molecular weight of 217.01 g/mol. Its IUPAC name is 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate.

Molecular Properties

Compound Name2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate
PubChem CID174842729
Molecular FormulaC7H16BF4NO
Molecular Weight217.01 g/mol
Exact Mass217.13
IUPAC Name2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate
SMILESCCC1C[NH+](C)CCO1.F[B-](F)(F)F
InChIInChI=1S/C7H15NO.BF4/c1-3-7-6-8(2)4-5-9-7;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyVMFGAUVCSVALOX-UHFFFAOYSA-O
XLogP0.61
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 50.61
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 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate?
The IUPAC name of 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate (CID 174842729) is 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate.
What is the SMILES notation for 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate?
The canonical SMILES for 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate is CCC1C[NH+](C)CCO1.F[B-](F)(F)F.
What is the InChIKey of 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate?
The InChIKey is VMFGAUVCSVALOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO.BF4/c1-3-7-6-8(2)4-5-9-7;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1.
What are the key properties of 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate?
2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate has a molecular weight of 217.01 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylmorpholin-4-ium tetrafluoroborate is sourced from PubChem (CID 174842729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).