4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate

C8H15BF4N2 — CID 87292115

IUPAC4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCCCC1=C[NH+](C)C=N1.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-4-5-8-6-10(2)7-9-8;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1/p+1
InChIKeyHBLUSKLQRJAUEI-UHFFFAOYSA-O
MW226.03 g/mol
LogP1.87
Rot. Bonds3

About 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate

4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 87292115) has the molecular formula C8H15BF4N2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID87292115
Molecular FormulaC8H15BF4N2
Molecular Weight226.03 g/mol
Exact Mass226.13
IUPAC Name4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCCCC1=C[NH+](C)C=N1.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-4-5-8-6-10(2)7-9-8;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1/p+1
InChIKeyHBLUSKLQRJAUEI-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 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate (CID 87292115) is 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate is CCCCC1=C[NH+](C)C=N1.F[B-](F)(F)F.
What is the InChIKey of 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is HBLUSKLQRJAUEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.BF4/c1-3-4-5-8-6-10(2)7-9-8;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1/p+1.
What are the key properties of 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
4-butyl-1-methyl-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 4-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 87292115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).