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

C17H12F3N3 — CID 155653399

IUPAC4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H12F3N3/c18-17(19,20)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-16-11-21-23-22-16/h1-11H,(H,21,22,23)/b10-3+
InChIKeyQGJYHZQNSSGUOR-XCVCLJGOSA-N
MW315.30 g/mol
LogP4.66
Rot. Bonds3

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

4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole (PubChem CID 155653399) has the molecular formula C17H12F3N3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole
PubChem CID155653399
Molecular FormulaC17H12F3N3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H12F3N3/c18-17(19,20)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-16-11-21-23-22-16/h1-11H,(H,21,22,23)/b10-3+
InChIKeyQGJYHZQNSSGUOR-XCVCLJGOSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.66
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-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole (CID 155653399) is 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole is FC(F)(F)c1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole?
The InChIKey is QGJYHZQNSSGUOR-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H12F3N3/c18-17(19,20)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-16-11-21-23-22-16/h1-11H,(H,21,22,23)/b10-3+.
What are the key properties of 4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole?
4-[(E)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole has a molecular weight of 315.30 g/mol, XLogP of 4.66, 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-[4-(trifluoromethyl)phenyl]phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 155653399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).