4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole

C8H11F3N2O — CID 91555481

IUPAC4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole
SMILESCc1cn(CC(C)OC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O/c1-6-3-13(5-12-6)4-7(2)14-8(9,10)11/h3,5,7H,4H2,1-2H3
InChIKeyFGVKEZAPDRIOHI-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole

4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole (PubChem CID 91555481) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole
PubChem CID91555481
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole
SMILESCc1cn(CC(C)OC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2O/c1-6-3-13(5-12-6)4-7(2)14-8(9,10)11/h3,5,7H,4H2,1-2H3
InChIKeyFGVKEZAPDRIOHI-UHFFFAOYSA-N
XLogP2.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole?
The IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole (CID 91555481) is 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole is Cc1cn(CC(C)OC(F)(F)F)cn1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole?
The InChIKey is FGVKEZAPDRIOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-3-13(5-12-6)4-7(2)14-8(9,10)11/h3,5,7H,4H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole?
4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole has a molecular weight of 208.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethoxy)propyl]imidazole is sourced from PubChem (CID 91555481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).