2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

C6H8F4N2 — CID 66681734

IUPAC2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCN1C=CN(CC(F)(F)F)C1F
InChIInChI=1S/C6H8F4N2/c1-11-2-3-12(5(11)7)4-6(8,9)10/h2-3,5H,4H2,1H3
InChIKeyZMVYUHAZAZVXAR-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.52
Rot. Bonds1

About 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (PubChem CID 66681734) has the molecular formula C6H8F4N2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
PubChem CID66681734
Molecular FormulaC6H8F4N2
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCN1C=CN(CC(F)(F)F)C1F
InChIInChI=1S/C6H8F4N2/c1-11-2-3-12(5(11)7)4-6(8,9)10/h2-3,5H,4H2,1H3
InChIKeyZMVYUHAZAZVXAR-UHFFFAOYSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The IUPAC name of 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (CID 66681734) is 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The canonical SMILES for 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is CN1C=CN(CC(F)(F)F)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The InChIKey is ZMVYUHAZAZVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2/c1-11-2-3-12(5(11)7)4-6(8,9)10/h2-3,5H,4H2,1H3.
What are the key properties of 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole has a molecular weight of 184.14 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is sourced from PubChem (CID 66681734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).