1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole

C11H10FN3O — CID 91484811

IUPAC1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole
SMILESFc1ccc(C2(Cn3ccnn3)CO2)cc1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)11(8-16-11)7-15-6-5-13-14-15/h1-6H,7-8H2
InChIKeyQYZDBFXVEDSYKB-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.34
Rot. Bonds3

About 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole

1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole (PubChem CID 91484811) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole
PubChem CID91484811
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole
SMILESFc1ccc(C2(Cn3ccnn3)CO2)cc1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)11(8-16-11)7-15-6-5-13-14-15/h1-6H,7-8H2
InChIKeyQYZDBFXVEDSYKB-UHFFFAOYSA-N
XLogP1.34
TPSA43.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole?
The IUPAC name of 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole (CID 91484811) is 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole?
The canonical SMILES for 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole is Fc1ccc(C2(Cn3ccnn3)CO2)cc1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole?
The InChIKey is QYZDBFXVEDSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)11(8-16-11)7-15-6-5-13-14-15/h1-6H,7-8H2.
What are the key properties of 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole?
1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole has a molecular weight of 219.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)oxiran-2-yl]methyl]triazole is sourced from PubChem (CID 91484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).