4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole

C8H11F3N2O — CID 106706325

IUPAC4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole
SMILESCc1ncn(COCC(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2O/c1-6-7(2)13(4-12-6)5-14-3-8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyQXBNSQIPBPEOQX-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.04
Rot. Bonds3

About 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole

4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole (PubChem CID 106706325) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole
PubChem CID106706325
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole
SMILESCc1ncn(COCC(F)(F)F)c1C
InChIInChI=1S/C8H11F3N2O/c1-6-7(2)13(4-12-6)5-14-3-8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyQXBNSQIPBPEOQX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole?
The IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole (CID 106706325) is 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole.
What is the SMILES notation for 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole?
The canonical SMILES for 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole is Cc1ncn(COCC(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole?
The InChIKey is QXBNSQIPBPEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-7(2)13(4-12-6)5-14-3-8(9,10)11/h4H,3,5H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole?
4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole has a molecular weight of 208.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)imidazole is sourced from PubChem (CID 106706325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).