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

C11H8F3N3 — CID 155653376

IUPAC4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-17-16-10/h1-7H,(H,15,16,17)/b6-3+
InChIKeyZOSNMOBWUGFJPD-ZZXKWVIFSA-N
MW239.20 g/mol
LogP2.99
Rot. Bonds2

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

4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole (PubChem CID 155653376) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole
PubChem CID155653376
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(/C=C/c2cn[nH]n2)cc1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-17-16-10/h1-7H,(H,15,16,17)/b6-3+
InChIKeyZOSNMOBWUGFJPD-ZZXKWVIFSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.99
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-(trifluoromethyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole (CID 155653376) is 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole is FC(F)(F)c1ccc(/C=C/c2cn[nH]n2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is ZOSNMOBWUGFJPD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)9-4-1-8(2-5-9)3-6-10-7-15-17-16-10/h1-7H,(H,15,16,17)/b6-3+.
What are the key properties of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole?
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 239.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 155653376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).