2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate

C8H15BF4N2 — CID 140673871

IUPAC2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC[NH+]1C=CN=C1CC.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-6-10-7-5-9-8(10)4-2;2-1(3,4)5/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1
InChIKeyXTLJTBJSDMKLLA-UHFFFAOYSA-O
MW226.03 g/mol
LogP1.87
Rot. Bonds3

About 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate

2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 140673871) has the molecular formula C8H15BF4N2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID140673871
Molecular FormulaC8H15BF4N2
Molecular Weight226.03 g/mol
Exact Mass226.13
IUPAC Name2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC[NH+]1C=CN=C1CC.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-6-10-7-5-9-8(10)4-2;2-1(3,4)5/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1
InChIKeyXTLJTBJSDMKLLA-UHFFFAOYSA-O
XLogP1.87
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.87
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-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate (CID 140673871) is 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate is CCC[NH+]1C=CN=C1CC.F[B-](F)(F)F.
What is the InChIKey of 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is XTLJTBJSDMKLLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.BF4/c1-3-6-10-7-5-9-8(10)4-2;2-1(3,4)5/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1.
What are the key properties of 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate has a molecular weight of 226.03 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 140673871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).