2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol

C13H23F3N2O2Si — CID 171803141

IUPAC2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(COCC[Si](C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C13H23F3N2O2Si/c1-12(2,19)10-8-18(11(17-10)13(14,15)16)9-20-6-7-21(3,4)5/h8,19H,6-7,9H2,1-5H3
InChIKeyZNGULRCCLIUTLK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol

2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol (PubChem CID 171803141) has the molecular formula C13H23F3N2O2Si and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol
PubChem CID171803141
Molecular FormulaC13H23F3N2O2Si
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(COCC[Si](C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C13H23F3N2O2Si/c1-12(2,19)10-8-18(11(17-10)13(14,15)16)9-20-6-7-21(3,4)5/h8,19H,6-7,9H2,1-5H3
InChIKeyZNGULRCCLIUTLK-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol (CID 171803141) is 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(COCC[Si](C)(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol?
The InChIKey is ZNGULRCCLIUTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2Si/c1-12(2,19)10-8-18(11(17-10)13(14,15)16)9-20-6-7-21(3,4)5/h8,19H,6-7,9H2,1-5H3.
What are the key properties of 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol?
2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 171803141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).