4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole

C16H12FN3 — CID 155653410

IUPAC4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole
SMILESFc1ccccc1-c1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C16H12FN3/c17-16-4-2-1-3-15(16)13-8-5-12(6-9-13)7-10-14-11-18-20-19-14/h1-11H,(H,18,19,20)/b10-7+
InChIKeyCGCJPVLZQDTPCC-JXMROGBWSA-N
MW265.29 g/mol
LogP3.78
Rot. Bonds3

About 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole

4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole (PubChem CID 155653410) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole
PubChem CID155653410
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole
SMILESFc1ccccc1-c1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C16H12FN3/c17-16-4-2-1-3-15(16)13-8-5-12(6-9-13)7-10-14-11-18-20-19-14/h1-11H,(H,18,19,20)/b10-7+
InChIKeyCGCJPVLZQDTPCC-JXMROGBWSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole (CID 155653410) is 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole is Fc1ccccc1-c1ccc(/C=C/c2cn[nH]n2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is CGCJPVLZQDTPCC-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12FN3/c17-16-4-2-1-3-15(16)13-8-5-12(6-9-13)7-10-14-11-18-20-19-14/h1-11H,(H,18,19,20)/b10-7+.
What are the key properties of 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole?
4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 265.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(2-fluorophenyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 155653410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).