1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole

C9H10F8N2 — CID 59008524

IUPAC1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
SMILESCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H10F8N2/c1-18-2-3-19(5-18)4-7(12,13)9(16,17)8(14,15)6(10)11/h2-3,6H,4-5H2,1H3
InChIKeyXZJBAEKUVHBUSL-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.83
Rot. Bonds5

About 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole

1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole (PubChem CID 59008524) has the molecular formula C9H10F8N2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
PubChem CID59008524
Molecular FormulaC9H10F8N2
Molecular Weight298.18 g/mol
Exact Mass298.07
IUPAC Name1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
SMILESCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H10F8N2/c1-18-2-3-19(5-18)4-7(12,13)9(16,17)8(14,15)6(10)11/h2-3,6H,4-5H2,1H3
InChIKeyXZJBAEKUVHBUSL-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole (CID 59008524) is 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole is CN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1.
What is the InChIKey of 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
The InChIKey is XZJBAEKUVHBUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8N2/c1-18-2-3-19(5-18)4-7(12,13)9(16,17)8(14,15)6(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole has a molecular weight of 298.18 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole is sourced from PubChem (CID 59008524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).