4-(2-fluorophenoxy)-2H-triazole

C8H6FN3O — CID 155653338

IUPAC4-(2-fluorophenoxy)-2H-triazole
SMILESFc1ccccc1Oc1cn[nH]n1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKeyMJGIXYUSFWNGNA-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.74
Rot. Bonds2

About 4-(2-fluorophenoxy)-2H-triazole

4-(2-fluorophenoxy)-2H-triazole (PubChem CID 155653338) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2H-triazole.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2H-triazole
PubChem CID155653338
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name4-(2-fluorophenoxy)-2H-triazole
SMILESFc1ccccc1Oc1cn[nH]n1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKeyMJGIXYUSFWNGNA-UHFFFAOYSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2H-triazole?
The IUPAC name of 4-(2-fluorophenoxy)-2H-triazole (CID 155653338) is 4-(2-fluorophenoxy)-2H-triazole.
What is the SMILES notation for 4-(2-fluorophenoxy)-2H-triazole?
The canonical SMILES for 4-(2-fluorophenoxy)-2H-triazole is Fc1ccccc1Oc1cn[nH]n1.
What is the InChIKey of 4-(2-fluorophenoxy)-2H-triazole?
The InChIKey is MJGIXYUSFWNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-3-1-2-4-7(6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12).
What are the key properties of 4-(2-fluorophenoxy)-2H-triazole?
4-(2-fluorophenoxy)-2H-triazole has a molecular weight of 179.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2H-triazole is sourced from PubChem (CID 155653338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).