1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol

C12H12F3N3O — CID 75176209

IUPAC1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3
InChIKeyQEEYXYCETHMVIQ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol

1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (PubChem CID 75176209) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
PubChem CID75176209
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3
InChIKeyQEEYXYCETHMVIQ-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (CID 75176209) is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The InChIKey is QEEYXYCETHMVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3.
What are the key properties of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 75176209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).