1-butylimidazole;hydron;hexafluorophosphate

C7H13F6N2P — CID 174546653

IUPAC1-butylimidazole;hydron;hexafluorophosphate
SMILESCCCCn1ccnc1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C7H12N2.F6P/c1-2-3-5-9-6-4-8-7-9;1-7(2,3,4,5)6/h4,6-7H,2-3,5H2,1H3;/q;-1/p+1
InChIKeyABADBCYGHJMNTB-UHFFFAOYSA-O
MW270.16 g/mol
LogP5.18
Rot. Bonds3

About 1-butylimidazole;hydron;hexafluorophosphate

1-butylimidazole;hydron;hexafluorophosphate (PubChem CID 174546653) has the molecular formula C7H13F6N2P and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-butylimidazole;hydron;hexafluorophosphate.

Molecular Properties

Compound Name1-butylimidazole;hydron;hexafluorophosphate
PubChem CID174546653
Molecular FormulaC7H13F6N2P
Molecular Weight270.16 g/mol
Exact Mass270.07
IUPAC Name1-butylimidazole;hydron;hexafluorophosphate
SMILESCCCCn1ccnc1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C7H12N2.F6P/c1-2-3-5-9-6-4-8-7-9;1-7(2,3,4,5)6/h4,6-7H,2-3,5H2,1H3;/q;-1/p+1
InChIKeyABADBCYGHJMNTB-UHFFFAOYSA-O
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.16
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-butylimidazole;hydron;hexafluorophosphate?
The IUPAC name of 1-butylimidazole;hydron;hexafluorophosphate (CID 174546653) is 1-butylimidazole;hydron;hexafluorophosphate.
What is the SMILES notation for 1-butylimidazole;hydron;hexafluorophosphate?
The canonical SMILES for 1-butylimidazole;hydron;hexafluorophosphate is CCCCn1ccnc1.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-butylimidazole;hydron;hexafluorophosphate?
The InChIKey is ABADBCYGHJMNTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2.F6P/c1-2-3-5-9-6-4-8-7-9;1-7(2,3,4,5)6/h4,6-7H,2-3,5H2,1H3;/q;-1/p+1.
What are the key properties of 1-butylimidazole;hydron;hexafluorophosphate?
1-butylimidazole;hydron;hexafluorophosphate has a molecular weight of 270.16 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazole;hydron;hexafluorophosphate is sourced from PubChem (CID 174546653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).