2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole

C5H3F5N2 — CID 576170

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H,(H,11,12)
InChIKeyNMXYOLNEJXKAJQ-UHFFFAOYSA-N
MW186.08 g/mol
LogP2.06
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole

2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole (PubChem CID 576170) has the molecular formula C5H3F5N2 and a molecular weight of 186.08 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole
PubChem CID576170
Molecular FormulaC5H3F5N2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H,(H,11,12)
InChIKeyNMXYOLNEJXKAJQ-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole (CID 576170) is 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole is FC(F)(F)C(F)(F)c1ncc[nH]1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole?
The InChIKey is NMXYOLNEJXKAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-11-1-2-12-3/h1-2H,(H,11,12).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole?
2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole has a molecular weight of 186.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole is sourced from PubChem (CID 576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).