2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol

C8H11F3N2O — CID 91807504

IUPAC2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nccn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-12-3-4-13(6)5-8(9,10)11/h3-4,14H,5H2,1-2H3
InChIKeyHMWHTHWHDGPNKP-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.67
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol

2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol (PubChem CID 91807504) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol
PubChem CID91807504
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nccn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-12-3-4-13(6)5-8(9,10)11/h3-4,14H,5H2,1-2H3
InChIKeyHMWHTHWHDGPNKP-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CID 7063912
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
1-Butyl-2-hydroxymethylimidazole
CID 579275
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 21589488
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 13615328
1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 21784237
(1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)methanol
CID 22938562
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-ol
CID 23564054
(1S)-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 81681206
4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butanenitrile
CID 16227244

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol (CID 91807504) is 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol is CC(C)(O)c1nccn1CC(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol?
The InChIKey is HMWHTHWHDGPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,14)6-12-3-4-13(6)5-8(9,10)11/h3-4,14H,5H2,1-2H3.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol?
2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 91807504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).