1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole

C11H10F3N3O — CID 91661120

IUPAC1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole
SMILESFC(F)(F)COc1ccccc1Cn1ccnn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-18-10-4-2-1-3-9(10)7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyTZPXLKOPGOZIOG-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.27
Rot. Bonds4

About 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole

1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole (PubChem CID 91661120) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole.

Molecular Properties

Compound Name1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole
PubChem CID91661120
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole
SMILESFC(F)(F)COc1ccccc1Cn1ccnn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-18-10-4-2-1-3-9(10)7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyTZPXLKOPGOZIOG-UHFFFAOYSA-N
XLogP2.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole?
The IUPAC name of 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole (CID 91661120) is 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole.
What is the SMILES notation for 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole?
The canonical SMILES for 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole is FC(F)(F)COc1ccccc1Cn1ccnn1.
What is the InChIKey of 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole?
The InChIKey is TZPXLKOPGOZIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-18-10-4-2-1-3-9(10)7-17-6-5-15-16-17/h1-6H,7-8H2.
What are the key properties of 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole?
1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole has a molecular weight of 257.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]triazole is sourced from PubChem (CID 91661120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).