4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole

C12H14FN3O — CID 175708386

IUPAC4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole
SMILESCCc1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O/c1-2-11-9-16(15-14-11)7-8-17-12-5-3-10(13)4-6-12/h3-6,9H,2,7-8H2,1H3
InChIKeyUOJFTUIRQTWBHE-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.06
Rot. Bonds5

About 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole

4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole (PubChem CID 175708386) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole.

Molecular Properties

Compound Name4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole
PubChem CID175708386
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole
SMILESCCc1cn(CCOc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O/c1-2-11-9-16(15-14-11)7-8-17-12-5-3-10(13)4-6-12/h3-6,9H,2,7-8H2,1H3
InChIKeyUOJFTUIRQTWBHE-UHFFFAOYSA-N
XLogP2.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole?
The IUPAC name of 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole (CID 175708386) is 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole.
What is the SMILES notation for 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole?
The canonical SMILES for 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole is CCc1cn(CCOc2ccc(F)cc2)nn1.
What is the InChIKey of 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole?
The InChIKey is UOJFTUIRQTWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-11-9-16(15-14-11)7-8-17-12-5-3-10(13)4-6-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole?
4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole has a molecular weight of 235.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(4-fluorophenoxy)ethyl]triazole is sourced from PubChem (CID 175708386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).