2-(5-ethoxy-3-fluorooxolan-2-yl)triazole

C8H12FN3O2 — CID 174519090

IUPAC2-(5-ethoxy-3-fluorooxolan-2-yl)triazole
SMILESCCOC1CC(F)C(n2nccn2)O1
InChIInChI=1S/C8H12FN3O2/c1-2-13-7-5-6(9)8(14-7)12-10-3-4-11-12/h3-4,6-8H,2,5H2,1H3
InChIKeyXKKSIIKFVBGJGM-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.90
Rot. Bonds3

About 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole

2-(5-ethoxy-3-fluorooxolan-2-yl)triazole (PubChem CID 174519090) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole.

Molecular Properties

Compound Name2-(5-ethoxy-3-fluorooxolan-2-yl)triazole
PubChem CID174519090
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name2-(5-ethoxy-3-fluorooxolan-2-yl)triazole
SMILESCCOC1CC(F)C(n2nccn2)O1
InChIInChI=1S/C8H12FN3O2/c1-2-13-7-5-6(9)8(14-7)12-10-3-4-11-12/h3-4,6-8H,2,5H2,1H3
InChIKeyXKKSIIKFVBGJGM-UHFFFAOYSA-N
XLogP0.90
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole?
The IUPAC name of 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole (CID 174519090) is 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole.
What is the SMILES notation for 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole?
The canonical SMILES for 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole is CCOC1CC(F)C(n2nccn2)O1.
What is the InChIKey of 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole?
The InChIKey is XKKSIIKFVBGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-13-7-5-6(9)8(14-7)12-10-3-4-11-12/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole?
2-(5-ethoxy-3-fluorooxolan-2-yl)triazole has a molecular weight of 201.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-fluorooxolan-2-yl)triazole is sourced from PubChem (CID 174519090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).