4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole

C15H10F3N3 — CID 162411953

IUPAC4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-21-20-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyHPEMIDHJOTUVFV-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.16
Rot. Bonds2

About 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole

4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole (PubChem CID 162411953) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole
PubChem CID162411953
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-21-20-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyHPEMIDHJOTUVFV-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole?
The IUPAC name of 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole (CID 162411953) is 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole.
What is the SMILES notation for 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole?
The canonical SMILES for 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole is FC(F)(F)c1ccc(-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole?
The InChIKey is HPEMIDHJOTUVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-21-20-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21).
What are the key properties of 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole?
4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole has a molecular weight of 289.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[4-(trifluoromethyl)phenyl]-2H-triazole is sourced from PubChem (CID 162411953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).