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

C15H25F3N2O3Si — CID 90066731

IUPAC4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1
InChIInChI=1S/C15H25F3N2O3Si/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14/h10,21H,4-9,11H2,1-3H3
InChIKeyGCQXAOZEEQOWON-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.21
Rot. Bonds6

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

4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol (PubChem CID 90066731) has the molecular formula C15H25F3N2O3Si and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol
PubChem CID90066731
Molecular FormulaC15H25F3N2O3Si
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1
InChIInChI=1S/C15H25F3N2O3Si/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14/h10,21H,4-9,11H2,1-3H3
InChIKeyGCQXAOZEEQOWON-UHFFFAOYSA-N
XLogP3.21
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
CID 90030256
2-(4-Methoxytetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole
CID 90030746
methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
[2-(4-Hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
CID 138716787
[2-(4-Methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
CID 145696030
2-[[2-(4-Methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;oxolane;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol
CID 157071828
CID 159221944
CID 159221944
Oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 159986213
[1-[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol
CID 170707521
2-[2-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]propan-2-ol
CID 171803141
[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 173618816
1-Methoxy-3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pentan-3-ol
CID 173899180

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol?
The IUPAC name of 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol (CID 90066731) is 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1.
What is the InChIKey of 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol?
The InChIKey is GCQXAOZEEQOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3Si/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14/h10,21H,4-9,11H2,1-3H3.
What are the key properties of 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol?
4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol has a molecular weight of 366.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol is sourced from PubChem (CID 90066731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).