[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol

C6H7F3N2O — CID 66149354

IUPAC[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-11-4-10-1-5(11)2-12/h1,4,12H,2-3H2
InChIKeyIVCFRVLWODKSFC-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.94
Rot. Bonds2

About [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol

[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol (PubChem CID 66149354) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol
PubChem CID66149354
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-11-4-10-1-5(11)2-12/h1,4,12H,2-3H2
InChIKeyIVCFRVLWODKSFC-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

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Related Compounds

4-Imidazolemethanol
CID 1745
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
1-Methyl-2-nitro-1H-imidazole-5-methanol
CID 70292
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
[1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol
CID 638694
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
(1-Isobutyl-1H-imidazol-5-yl)methanol
CID 11686942
(1,4-dimethyl-1H-imidazol-2-yl)methanol
CID 12923402
(1-ethyl-1H-imidazol-4-yl)methanol
CID 18361866
(2-bromo-1-methyl-1H-imidazol-5-yl)methanol
CID 52987715

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol (CID 66149354) is [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol is OCc1cncn1CC(F)(F)F.
What is the InChIKey of [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol?
The InChIKey is IVCFRVLWODKSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)3-11-4-10-1-5(11)2-12/h1,4,12H,2-3H2.
What are the key properties of [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol?
[3-(2,2,2-trifluoroethyl)imidazol-4-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 [3-(2,2,2-trifluoroethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 66149354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).