2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole

C7H7F7N2O — CID 87104933

IUPAC2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
SMILESCN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1F
InChIInChI=1S/C7H7F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h2-5H,1H3
InChIKeyCXUKORLMGBYVQK-UHFFFAOYSA-N
MW268.13 g/mol
LogP2.38
Rot. Bonds3

About 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole

2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole (PubChem CID 87104933) has the molecular formula C7H7F7N2O and a molecular weight of 268.13 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
PubChem CID87104933
Molecular FormulaC7H7F7N2O
Molecular Weight268.13 g/mol
Exact Mass268.04
IUPAC Name2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole
SMILESCN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1F
InChIInChI=1S/C7H7F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h2-5H,1H3
InChIKeyCXUKORLMGBYVQK-UHFFFAOYSA-N
XLogP2.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The IUPAC name of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole (CID 87104933) is 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The canonical SMILES for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole is CN1C=CN(C(F)(F)C(F)OC(F)(F)F)C1F.
What is the InChIKey of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
The InChIKey is CXUKORLMGBYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7N2O/c1-15-2-3-16(5(15)9)6(10,11)4(8)17-7(12,13)14/h2-5H,1H3.
What are the key properties of 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole?
2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole has a molecular weight of 268.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-2H-imidazole is sourced from PubChem (CID 87104933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).