[4-(trifluoromethyl)imidazol-1-yl]methanol

C5H5F3N2O — CID 23149164

IUPAC[4-(trifluoromethyl)imidazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-1-10(3-11)2-9-4/h1-2,11H,3H2
InChIKeyZHZFTQCNTKPSNF-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.85
Rot. Bonds1

About [4-(trifluoromethyl)imidazol-1-yl]methanol

[4-(trifluoromethyl)imidazol-1-yl]methanol (PubChem CID 23149164) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [4-(trifluoromethyl)imidazol-1-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)imidazol-1-yl]methanol
PubChem CID23149164
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[4-(trifluoromethyl)imidazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)F)c1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-1-10(3-11)2-9-4/h1-2,11H,3H2
InChIKeyZHZFTQCNTKPSNF-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methyl-2-methylsulfanyl-5-trifluoromethyl-1H-imidazole
CID 15684177
(1,4-dimethyl-1H-imidazol-2-yl)methanol
CID 12923402
(1-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 66149354
2-(4-(trifluoromethyl)-1H-imidazol-1-yl)acetic acid
CID 89978138
(1-(2,2,2-trifluoroethyl)-1H-imidazol-4-yl)methanol
CID 121602213
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
(E)-N-hydroxy-1-(1-methyl-1H-imidazol-5-yl)methanimine
CID 17019781
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149
1H-Imidazole, 1-(difluoromethyl)-5-methyl-
CID 119094150

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)imidazol-1-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)imidazol-1-yl]methanol (CID 23149164) is [4-(trifluoromethyl)imidazol-1-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)imidazol-1-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)imidazol-1-yl]methanol is OCn1cnc(C(F)(F)F)c1.
What is the InChIKey of [4-(trifluoromethyl)imidazol-1-yl]methanol?
The InChIKey is ZHZFTQCNTKPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-10(3-11)2-9-4/h1-2,11H,3H2.
What are the key properties of [4-(trifluoromethyl)imidazol-1-yl]methanol?
[4-(trifluoromethyl)imidazol-1-yl]methanol has a molecular weight of 166.10 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)imidazol-1-yl]methanol is sourced from PubChem (CID 23149164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).