[2-(4-fluorophenyl)triazol-4-yl]methyl acetate

C11H10FN3O2 — CID 167327940

IUPAC[2-(4-fluorophenyl)triazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2/c1-8(16)17-7-10-6-13-15(14-10)11-4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyYABAGNRDFPKADY-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.47
Rot. Bonds3

About [2-(4-fluorophenyl)triazol-4-yl]methyl acetate

[2-(4-fluorophenyl)triazol-4-yl]methyl acetate (PubChem CID 167327940) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is [2-(4-fluorophenyl)triazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)triazol-4-yl]methyl acetate
PubChem CID167327940
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name[2-(4-fluorophenyl)triazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2/c1-8(16)17-7-10-6-13-15(14-10)11-4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyYABAGNRDFPKADY-UHFFFAOYSA-N
XLogP1.47
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]methyl acetate?
The IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]methyl acetate (CID 167327940) is [2-(4-fluorophenyl)triazol-4-yl]methyl acetate.
What is the SMILES notation for [2-(4-fluorophenyl)triazol-4-yl]methyl acetate?
The canonical SMILES for [2-(4-fluorophenyl)triazol-4-yl]methyl acetate is CC(=O)OCc1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)triazol-4-yl]methyl acetate?
The InChIKey is YABAGNRDFPKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-8(16)17-7-10-6-13-15(14-10)11-4-2-9(12)3-5-11/h2-6H,7H2,1H3.
What are the key properties of [2-(4-fluorophenyl)triazol-4-yl]methyl acetate?
[2-(4-fluorophenyl)triazol-4-yl]methyl acetate has a molecular weight of 235.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)triazol-4-yl]methyl acetate is sourced from PubChem (CID 167327940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).