2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole

C5H6F4N2 — CID 66682177

IUPAC2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole
SMILESCN1C=CN(C(F)(F)F)C1F
InChIInChI=1S/C5H6F4N2/c1-10-2-3-11(4(10)6)5(7,8)9/h2-4H,1H3
InChIKeySLZFBPCWMNNYBR-UHFFFAOYSA-N
MW170.11 g/mol
LogP1.48
Rot. Bonds

About 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole

2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole (PubChem CID 66682177) has the molecular formula C5H6F4N2 and a molecular weight of 170.11 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole
PubChem CID66682177
Molecular FormulaC5H6F4N2
Molecular Weight170.11 g/mol
Exact Mass170.05
IUPAC Name2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole
SMILESCN1C=CN(C(F)(F)F)C1F
InChIInChI=1S/C5H6F4N2/c1-10-2-3-11(4(10)6)5(7,8)9/h2-4H,1H3
InChIKeySLZFBPCWMNNYBR-UHFFFAOYSA-N
XLogP1.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.48
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-(trifluoromethyl)-2H-imidazole?
The IUPAC name of 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole (CID 66682177) is 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole?
The canonical SMILES for 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole is CN1C=CN(C(F)(F)F)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole?
The InChIKey is SLZFBPCWMNNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2/c1-10-2-3-11(4(10)6)5(7,8)9/h2-4H,1H3.
What are the key properties of 2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole?
2-fluoro-1-methyl-3-(trifluoromethyl)-2H-imidazole has a molecular weight of 170.11 g/mol, XLogP of 1.48, 0 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-(trifluoromethyl)-2H-imidazole is sourced from PubChem (CID 66682177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).