[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol

C6H7F3N2O — CID 22938562

IUPAC[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol
SMILESOCc1nccn1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-1-10-5(11)3-12/h1-2,12H,3-4H2
InChIKeyWPMIPIPCGHAJNZ-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.94
Rot. Bonds2

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

[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol (PubChem CID 22938562) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol
PubChem CID22938562
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol
SMILESOCc1nccn1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-1-10-5(11)3-12/h1-2,12H,3-4H2
InChIKeyWPMIPIPCGHAJNZ-UHFFFAOYSA-N
XLogP0.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol 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

alpha-methyl-1H-imidazole-1-ethanol
CID 109233
2-Methyl-1H-imidazole-1-ethanol
CID 74169
1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate
CID 11344909
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-(2-Hydroxyethyl)-2-methyl-5-aminoimidazole
CID 134701
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CID 7063912
1-(2-Hydroxyethyl)-3-methylimidazolium chloride
CID 11499271
(5-chloro-1-methyl-1H-imidazol-2-yl)methanol
CID 14638329
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
1-(2-Hydroxyethyl)-3-methylimidazolium dicyanamide
CID 71310541

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol (CID 22938562) is [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol is OCc1nccn1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol?
The InChIKey is WPMIPIPCGHAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)4-11-2-1-10-5(11)3-12/h1-2,12H,3-4H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol?
[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 22938562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).