2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol

C8H11F3N2O — CID 66163253

IUPAC2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-4-12-3-6(13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
InChIKeyKPXUGTBBDCOJKS-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.06
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol

2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66163253) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66163253
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-4-12-3-6(13)7(14)8(9,10)11/h3-5,7,14H,1-2H3
InChIKeyKPXUGTBBDCOJKS-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66163253) is 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol is CC(C)n1cncc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is KPXUGTBBDCOJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5(2)13-4-12-3-6(13)7(14)8(9,10)11/h3-5,7,14H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 208.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66163253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).