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

C10H12F8N2 — CID 59008520

IUPAC1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
SMILESCCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H12F8N2/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
InChIKeyOCBLEAYBGQZVCH-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.22
Rot. Bonds6

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

1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole (PubChem CID 59008520) has the molecular formula C10H12F8N2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
PubChem CID59008520
Molecular FormulaC10H12F8N2
Molecular Weight312.20 g/mol
Exact Mass312.09
IUPAC Name1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
SMILESCCN1C=CN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H12F8N2/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
InChIKeyOCBLEAYBGQZVCH-UHFFFAOYSA-N
XLogP3.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.22
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-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
The IUPAC name of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole (CID 59008520) is 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
The canonical SMILES for 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole is 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?
The InChIKey is OCBLEAYBGQZVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8N2/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.
What are the key properties of 1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole?
1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole has a molecular weight of 312.20 g/mol, XLogP of 3.22, 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 is sourced from PubChem (CID 59008520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).