2-propyl-1H-imidazole tetrafluoroborate

C6H10BF4N2- — CID 174826414

IUPAC2-propyl-1H-imidazole tetrafluoroborate
SMILESCCCc1ncc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C6H10N2.BF4/c1-2-3-6-7-4-5-8-6;2-1(3,4)5/h4-5H,2-3H2,1H3,(H,7,8);/q;-1
InChIKeyDIBPRTCBUZPTIY-UHFFFAOYSA-N
MW196.96 g/mol
LogP2.66
Rot. Bonds2

About 2-propyl-1H-imidazole tetrafluoroborate

2-propyl-1H-imidazole tetrafluoroborate (PubChem CID 174826414) has the molecular formula C6H10BF4N2- and a molecular weight of 196.96 g/mol. Its IUPAC name is 2-propyl-1H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name2-propyl-1H-imidazole tetrafluoroborate
PubChem CID174826414
Molecular FormulaC6H10BF4N2-
Molecular Weight196.96 g/mol
Exact Mass197.09
IUPAC Name2-propyl-1H-imidazole tetrafluoroborate
SMILESCCCc1ncc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C6H10N2.BF4/c1-2-3-6-7-4-5-8-6;2-1(3,4)5/h4-5H,2-3H2,1H3,(H,7,8);/q;-1
InChIKeyDIBPRTCBUZPTIY-UHFFFAOYSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.96
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-imidazole tetrafluoroborate?
The IUPAC name of 2-propyl-1H-imidazole tetrafluoroborate (CID 174826414) is 2-propyl-1H-imidazole tetrafluoroborate.
What is the SMILES notation for 2-propyl-1H-imidazole tetrafluoroborate?
The canonical SMILES for 2-propyl-1H-imidazole tetrafluoroborate is CCCc1ncc[nH]1.F[B-](F)(F)F.
What is the InChIKey of 2-propyl-1H-imidazole tetrafluoroborate?
The InChIKey is DIBPRTCBUZPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.BF4/c1-2-3-6-7-4-5-8-6;2-1(3,4)5/h4-5H,2-3H2,1H3,(H,7,8);/q;-1.
What are the key properties of 2-propyl-1H-imidazole tetrafluoroborate?
2-propyl-1H-imidazole tetrafluoroborate has a molecular weight of 196.96 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-imidazole tetrafluoroborate is sourced from PubChem (CID 174826414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).