1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium

C8H4F11N2+ — CID 154144091

IUPAC1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1
InChIInChI=1S/C8H3F11N2/c9-4(10,5(11,12)7(15,16)17)6(13,14)8(18,19)21-2-1-20-3-21/h1-3H/p+1
InChIKeyVNIAYSSFROMNBU-UHFFFAOYSA-O
MW337.11 g/mol
LogP2.45
Rot. Bonds4

About 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium

1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium (PubChem CID 154144091) has the molecular formula C8H4F11N2+ and a molecular weight of 337.11 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium
PubChem CID154144091
Molecular FormulaC8H4F11N2+
Molecular Weight337.11 g/mol
Exact Mass337.02
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1
InChIInChI=1S/C8H3F11N2/c9-4(10,5(11,12)7(15,16)17)6(13,14)8(18,19)21-2-1-20-3-21/h1-3H/p+1
InChIKeyVNIAYSSFROMNBU-UHFFFAOYSA-O
XLogP2.45
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 52.45
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'}

Analyze 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentyl-1H-imidazol-1-ium hexafluorophosphate
CID 18629775
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazol-1-ium
CID 172771596
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
1-pentyl-1H-imidazol-1-ium tetrafluoroborate
CID 22287813
hexafluoroantimony(1-);1-pentyl-1H-imidazol-1-ium
CID 19347784

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium (CID 154144091) is 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[NH+]1C=CN=C1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium?
The InChIKey is VNIAYSSFROMNBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H3F11N2/c9-4(10,5(11,12)7(15,16)17)6(13,14)8(18,19)21-2-1-20-3-21/h1-3H/p+1.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium?
1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium has a molecular weight of 337.11 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazol-1-ium is sourced from PubChem (CID 154144091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).