4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid

C15H10FN3O3 — CID 139435009

IUPAC4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H10FN3O3/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)22-14-13(15(20)21)17-19-18-14/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyZRTNNTOXCDRSRW-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.10
Rot. Bonds4

About 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid

4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid (PubChem CID 139435009) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid
PubChem CID139435009
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H10FN3O3/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)22-14-13(15(20)21)17-19-18-14/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyZRTNNTOXCDRSRW-UHFFFAOYSA-N
XLogP3.10
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid?
The IUPAC name of 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid (CID 139435009) is 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid is O=C(O)c1[nH]nnc1Oc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid?
The InChIKey is ZRTNNTOXCDRSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)22-14-13(15(20)21)17-19-18-14/h1-8H,(H,20,21)(H,17,18,19).
What are the key properties of 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid?
4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenoxy]-1H-triazole-5-carboxylic acid is sourced from PubChem (CID 139435009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).