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

C15H10F3N3O — CID 155653474

IUPAC4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)22-14-9-19-21-20-14/h1-9H,(H,19,20,21)
InChIKeyHVAZVNWNSJOIOL-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.28
Rot. Bonds3

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

4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole (PubChem CID 155653474) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole
PubChem CID155653474
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole
SMILESFC(F)(F)c1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)22-14-9-19-21-20-14/h1-9H,(H,19,20,21)
InChIKeyHVAZVNWNSJOIOL-UHFFFAOYSA-N
XLogP4.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole?
The IUPAC name of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole (CID 155653474) is 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole is FC(F)(F)c1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole?
The InChIKey is HVAZVNWNSJOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)12-5-1-10(2-6-12)11-3-7-13(8-4-11)22-14-9-19-21-20-14/h1-9H,(H,19,20,21).
What are the key properties of 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole?
4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole has a molecular weight of 305.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)phenyl]phenoxy]-2H-triazole is sourced from PubChem (CID 155653474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).