1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium

C12H4F19N2+ — CID 154136719

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1
InChIInChI=1S/C12H3F19N2/c13-4(14,5(15,16)7(19,20)9(23,24)11(27,28)29)6(17,18)8(21,22)10(25,26)12(30,31)33-2-1-32-3-33/h1-3H/p+1
InChIKeyLYVNPLOALQERJT-UHFFFAOYSA-O
MW537.14 g/mol
LogP4.99
Rot. Bonds8

About 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium (PubChem CID 154136719) has the molecular formula C12H4F19N2+ and a molecular weight of 537.14 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium
PubChem CID154136719
Molecular FormulaC12H4F19N2+
Molecular Weight537.14 g/mol
Exact Mass537.01
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1
InChIInChI=1S/C12H3F19N2/c13-4(14,5(15,16)7(19,20)9(23,24)11(27,28)29)6(17,18)8(21,22)10(25,26)12(30,31)33-2-1-32-3-33/h1-3H/p+1
InChIKeyLYVNPLOALQERJT-UHFFFAOYSA-O
XLogP4.99
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.14
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)imidazol-1-ium
CID 87287947
1-methyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)-1H-imidazol-1-ium
CID 152749711
1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium
CID 154144091
1-nonyl-1H-imidazol-1-ium tetrafluoroborate
CID 87734653
1-octyl-1H-imidazol-1-ium tetrafluoroborate
CID 173580461
1-dodecyl-1H-imidazol-1-ium tetrafluoroborate
CID 175401088

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium (CID 154136719) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium?
The InChIKey is LYVNPLOALQERJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H3F19N2/c13-4(14,5(15,16)7(19,20)9(23,24)11(27,28)29)6(17,18)8(21,22)10(25,26)12(30,31)33-2-1-32-3-33/h1-3H/p+1.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium?
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium has a molecular weight of 537.14 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1H-imidazol-1-ium is sourced from PubChem (CID 154136719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).