4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid

C9H6FN3O3 — CID 137067797

IUPAC4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1ccccc1F
InChIInChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)16-8-7(9(14)15)11-13-12-8/h1-4H,(H,14,15)(H,11,12,13)
InChIKeyFAYWVJFEEPUXRQ-UHFFFAOYSA-N
MW223.16 g/mol
LogP1.43
Rot. Bonds3

About 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid

4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid (PubChem CID 137067797) has the molecular formula C9H6FN3O3 and a molecular weight of 223.16 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid
PubChem CID137067797
Molecular FormulaC9H6FN3O3
Molecular Weight223.16 g/mol
Exact Mass223.04
IUPAC Name4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1ccccc1F
InChIInChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)16-8-7(9(14)15)11-13-12-8/h1-4H,(H,14,15)(H,11,12,13)
InChIKeyFAYWVJFEEPUXRQ-UHFFFAOYSA-N
XLogP1.43
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid (CID 137067797) is 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid is O=C(O)c1[nH]nnc1Oc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid?
The InChIKey is FAYWVJFEEPUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)16-8-7(9(14)15)11-13-12-8/h1-4H,(H,14,15)(H,11,12,13).
What are the key properties of 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid?
4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1H-triazole-5-carboxylic acid is sourced from PubChem (CID 137067797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).