1-ethyl-3-propyl-2H-imidazole tetrafluoroborate

C8H16BF4N2- — CID 174735420

IUPAC1-ethyl-3-propyl-2H-imidazole tetrafluoroborate
SMILESCCCN1C=CN(CC)C1.F[B-](F)(F)F
InChIInChI=1S/C8H16N2.BF4/c1-3-5-10-7-6-9(4-2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;/q;-1
InChIKeyXCSHQRKANRCYEO-UHFFFAOYSA-N
MW227.03 g/mol
LogP2.76
Rot. Bonds3

About 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate

1-ethyl-3-propyl-2H-imidazole tetrafluoroborate (PubChem CID 174735420) has the molecular formula C8H16BF4N2- and a molecular weight of 227.03 g/mol. Its IUPAC name is 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name1-ethyl-3-propyl-2H-imidazole tetrafluoroborate
PubChem CID174735420
Molecular FormulaC8H16BF4N2-
Molecular Weight227.03 g/mol
Exact Mass227.13
IUPAC Name1-ethyl-3-propyl-2H-imidazole tetrafluoroborate
SMILESCCCN1C=CN(CC)C1.F[B-](F)(F)F
InChIInChI=1S/C8H16N2.BF4/c1-3-5-10-7-6-9(4-2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;/q;-1
InChIKeyXCSHQRKANRCYEO-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1,3-diethyl-2H-imidazole;fluoroform
CID 174507741
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate
CID 174810794
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
CID 174521316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate?
The IUPAC name of 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate (CID 174735420) is 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate.
What is the SMILES notation for 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate?
The canonical SMILES for 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate is CCCN1C=CN(CC)C1.F[B-](F)(F)F.
What is the InChIKey of 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate?
The InChIKey is XCSHQRKANRCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.BF4/c1-3-5-10-7-6-9(4-2)8-10;2-1(3,4)5/h6-7H,3-5,8H2,1-2H3;/q;-1.
What are the key properties of 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate?
1-ethyl-3-propyl-2H-imidazole tetrafluoroborate has a molecular weight of 227.03 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-2H-imidazole tetrafluoroborate is sourced from PubChem (CID 174735420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).