[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol

C5H5F3N2O — CID 597196

IUPAC[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10)
InChIKeyLOQHFYRPMOANSF-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.92
Rot. Bonds1

About [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol

[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol (PubChem CID 597196) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol
PubChem CID597196
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1[nH]cnc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10)
InChIKeyLOQHFYRPMOANSF-UHFFFAOYSA-N
XLogP0.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol (CID 597196) is [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol is OCc1[nH]cnc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is LOQHFYRPMOANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10).
What are the key properties of [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 166.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 597196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).