2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol

C8H11F3N2O — CID 170402572

IUPAC2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
SMILESCC(CO)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyQYMGDYHNDWOTBF-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol

2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol (PubChem CID 170402572) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
PubChem CID170402572
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
SMILESCC(CO)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11/h2-3,6,14H,4-5H2,1H3
InChIKeyQYMGDYHNDWOTBF-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol 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-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol (CID 170402572) is 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol is CC(CO)Cn1ccnc1C(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
The InChIKey is QYMGDYHNDWOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6(5-14)4-13-3-2-12-7(13)8(9,10)11/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol?
2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 170402572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).