2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

C16H9F6N3O3 — CID 18921377

IUPAC2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)COc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C16H9F6N3O3/c17-15(18,19)8-26-14-25-24-13(28-14)11-5-2-6-12(23-11)27-10-4-1-3-9(7-10)16(20,21)22/h1-7H,8H2
InChIKeyAJRSCLFVIJBQNA-UHFFFAOYSA-N
MW405.25 g/mol
LogP4.88
Rot. Bonds5

About 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921377) has the molecular formula C16H9F6N3O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921377
Molecular FormulaC16H9F6N3O3
Molecular Weight405.25 g/mol
Exact Mass405.05
IUPAC Name2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)COc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C16H9F6N3O3/c17-15(18,19)8-26-14-25-24-13(28-14)11-5-2-6-12(23-11)27-10-4-1-3-9(7-10)16(20,21)22/h1-7H,8H2
InChIKeyAJRSCLFVIJBQNA-UHFFFAOYSA-N
XLogP4.88
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921377) is 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)COc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is AJRSCLFVIJBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3O3/c17-15(18,19)8-26-14-25-24-13(28-14)11-5-2-6-12(23-11)27-10-4-1-3-9(7-10)16(20,21)22/h1-7H,8H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 405.25 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).