[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol

C6H7F3N2O — CID 63108229

IUPAC[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-5-10-2-4(3-12)11-5/h2,12H,1,3H2,(H,10,11)
InChIKeyXQHFAHBXSOTDKT-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.01
Rot. Bonds2

About [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol

[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol (PubChem CID 63108229) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol
PubChem CID63108229
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-5-10-2-4(3-12)11-5/h2,12H,1,3H2,(H,10,11)
InChIKeyXQHFAHBXSOTDKT-UHFFFAOYSA-N
XLogP1.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
2-Butyl-5-hydroxymethylimidazole
CID 2735673
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
(4-(trifluoromethyl)-1H-imidazol-5-yl)methanol
CID 597196
(4-Fluoro-1H-imidazol-5-yl)methanol
CID 567446
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
1-(1H-imidazol-4-yl)ethan-1-ol hydrochloride
CID 12344798
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
(2-chloro-1H-imidazol-4-yl)methanol
CID 53839325
1,2-Dimethyl-1H-imidazole-4-methanol
CID 59589401
(1-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 66149354

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol (CID 63108229) is [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol is OCc1cnc(CC(F)(F)F)[nH]1.
What is the InChIKey of [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is XQHFAHBXSOTDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)1-5-10-2-4(3-12)11-5/h2,12H,1,3H2,(H,10,11).
What are the key properties of [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol?
[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).