1-pentyl-1H-imidazol-1-ium hexafluorophosphate

C8H15F6N2P — CID 18629775

IUPAC1-pentyl-1H-imidazol-1-ium hexafluorophosphate
SMILESCCCCC[NH+]1C=CN=C1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H14N2.F6P/c1-2-3-4-6-10-7-5-9-8-10;1-7(2,3,4,5)6/h5,7-8H,2-4,6H2,1H3;/q;-1/p+1
InChIKeyLSOLSXRUCKLZNL-UHFFFAOYSA-O
MW284.18 g/mol
LogP3.96
Rot. Bonds4

About 1-pentyl-1H-imidazol-1-ium hexafluorophosphate

1-pentyl-1H-imidazol-1-ium hexafluorophosphate (PubChem CID 18629775) has the molecular formula C8H15F6N2P and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-pentyl-1H-imidazol-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-pentyl-1H-imidazol-1-ium hexafluorophosphate
PubChem CID18629775
Molecular FormulaC8H15F6N2P
Molecular Weight284.18 g/mol
Exact Mass284.09
IUPAC Name1-pentyl-1H-imidazol-1-ium hexafluorophosphate
SMILESCCCCC[NH+]1C=CN=C1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H14N2.F6P/c1-2-3-4-6-10-7-5-9-8-10;1-7(2,3,4,5)6/h5,7-8H,2-4,6H2,1H3;/q;-1/p+1
InChIKeyLSOLSXRUCKLZNL-UHFFFAOYSA-O
XLogP3.96
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1H-imidazol-1-ium tetrafluoridoborate(1-)
CID 57350046
1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium
CID 154144091
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
1-Butyl-1-methylimidazol-1-ium hexafluorophosphate
CID 22042520
1-pentyl-1H-imidazol-1-ium tetrafluoroborate
CID 22287813
1-pentyl-1H-imidazol-1-ium
CID 22342452
1-pentyl-1H-imidazol-1-ium bromide
CID 22564389
1-pentyl-1H-imidazol-1-ium chloride
CID 66620564
1-butyl-1H-imidazol-1-ium fluoride
CID 69338392
1-heptyl-1H-imidazol-1-ium tetrafluoroborate
CID 87657762
1-nonyl-1H-imidazol-1-ium tetrafluoroborate
CID 87734653
[Butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium
CID 144851108

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-1H-imidazol-1-ium hexafluorophosphate?
The IUPAC name of 1-pentyl-1H-imidazol-1-ium hexafluorophosphate (CID 18629775) is 1-pentyl-1H-imidazol-1-ium hexafluorophosphate.
What is the SMILES notation for 1-pentyl-1H-imidazol-1-ium hexafluorophosphate?
The canonical SMILES for 1-pentyl-1H-imidazol-1-ium hexafluorophosphate is CCCCC[NH+]1C=CN=C1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-pentyl-1H-imidazol-1-ium hexafluorophosphate?
The InChIKey is LSOLSXRUCKLZNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.F6P/c1-2-3-4-6-10-7-5-9-8-10;1-7(2,3,4,5)6/h5,7-8H,2-4,6H2,1H3;/q;-1/p+1.
What are the key properties of 1-pentyl-1H-imidazol-1-ium hexafluorophosphate?
1-pentyl-1H-imidazol-1-ium hexafluorophosphate has a molecular weight of 284.18 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-1H-imidazol-1-ium hexafluorophosphate is sourced from PubChem (CID 18629775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).