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

C15H10F3N3O2 — CID 155653359

IUPAC4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-13-7-3-11(4-8-13)10-1-5-12(6-2-10)22-14-9-19-21-20-14/h1-9H,(H,19,20,21)
InChIKeyJVDPCNFTHNYDGN-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.16
Rot. Bonds4

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

4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole (PubChem CID 155653359) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole
PubChem CID155653359
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-13-7-3-11(4-8-13)10-1-5-12(6-2-10)22-14-9-19-21-20-14/h1-9H,(H,19,20,21)
InChIKeyJVDPCNFTHNYDGN-UHFFFAOYSA-N
XLogP4.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole (CID 155653359) is 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole is FC(F)(F)Oc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole?
The InChIKey is JVDPCNFTHNYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)23-13-7-3-11(4-8-13)10-1-5-12(6-2-10)22-14-9-19-21-20-14/h1-9H,(H,19,20,21).
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole?
4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole has a molecular weight of 321.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethoxy)phenyl]phenoxy]-2H-triazole is sourced from PubChem (CID 155653359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).