1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane

C11H16F8N2 — CID 159886834

IUPAC1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane
SMILESC.CCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H12F8N2.CH4/c1-2-19-3-4-20(6-19)5-8(13,14)10(17,18)9(15,16)7(11)12;/h3-4,7H,2,5-6H2,1H3;1H4
InChIKeyNUFXLDGJDIUCQF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.86
Rot. Bonds6

About 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane

1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane (PubChem CID 159886834) has the molecular formula C11H16F8N2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane.

Molecular Properties

Compound Name1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane
PubChem CID159886834
Molecular FormulaC11H16F8N2
Molecular Weight328.25 g/mol
Exact Mass328.12
IUPAC Name1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane
SMILESC.CCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H12F8N2.CH4/c1-2-19-3-4-20(6-19)5-8(13,14)10(17,18)9(15,16)7(11)12;/h3-4,7H,2,5-6H2,1H3;1H4
InChIKeyNUFXLDGJDIUCQF-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane?
The IUPAC name of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane (CID 159886834) is 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane.
What is the SMILES notation for 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane?
The canonical SMILES for 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane is C.CCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1.
What is the InChIKey of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane?
The InChIKey is NUFXLDGJDIUCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8N2.CH4/c1-2-19-3-4-20(6-19)5-8(13,14)10(17,18)9(15,16)7(11)12;/h3-4,7H,2,5-6H2,1H3;1H4.
What are the key properties of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane?
1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane has a molecular weight of 328.25 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole;methane is sourced from PubChem (CID 159886834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).