4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole

C15H11F2N3O — CID 59983927

IUPAC4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-21-13-6-5-10(8-12(13)17)15-14(18-20-19-15)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,18,19,20)
InChIKeyICZKDDBGTOIQCU-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.43
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole

4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole (PubChem CID 59983927) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
PubChem CID59983927
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-21-13-6-5-10(8-12(13)17)15-14(18-20-19-15)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,18,19,20)
InChIKeyICZKDDBGTOIQCU-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole (CID 59983927) is 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole is COc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
The InChIKey is ICZKDDBGTOIQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-21-13-6-5-10(8-12(13)17)15-14(18-20-19-15)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,18,19,20).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole?
4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole has a molecular weight of 287.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole is sourced from PubChem (CID 59983927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).