1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate

C8H17F6N2P — CID 174451662

IUPAC1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
SMILESCCCCN1C=CN(C)C1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C8H16N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;/q;-1/p+1
InChIKeyICTFLTJZPAXFBO-UHFFFAOYSA-O
MW286.20 g/mol
LogP4.96
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate

1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate (PubChem CID 174451662) has the molecular formula C8H17F6N2P and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
PubChem CID174451662
Molecular FormulaC8H17F6N2P
Molecular Weight286.20 g/mol
Exact Mass286.10
IUPAC Name1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
SMILESCCCCN1C=CN(C)C1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C8H16N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;/q;-1/p+1
InChIKeyICTFLTJZPAXFBO-UHFFFAOYSA-O
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate (CID 174451662) is 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate is CCCCN1C=CN(C)C1.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate?
The InChIKey is ICTFLTJZPAXFBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate?
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate has a molecular weight of 286.20 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate is sourced from PubChem (CID 174451662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).