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

C10H9ClFN3O — CID 86816492

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole
SMILESFc1ccc(OCCn2ccnn2)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O/c11-9-7-8(12)1-2-10(9)16-6-5-15-4-3-13-14-15/h1-4,7H,5-6H2
InChIKeyGFVYVJQQLVYZHC-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.15
Rot. Bonds4

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

1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole (PubChem CID 86816492) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole
PubChem CID86816492
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole
SMILESFc1ccc(OCCn2ccnn2)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O/c11-9-7-8(12)1-2-10(9)16-6-5-15-4-3-13-14-15/h1-4,7H,5-6H2
InChIKeyGFVYVJQQLVYZHC-UHFFFAOYSA-N
XLogP2.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole (CID 86816492) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole is Fc1ccc(OCCn2ccnn2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole?
The InChIKey is GFVYVJQQLVYZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-9-7-8(12)1-2-10(9)16-6-5-15-4-3-13-14-15/h1-4,7H,5-6H2.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole has a molecular weight of 241.65 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazole is sourced from PubChem (CID 86816492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).