2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C16H8F6N2O2 — CID 2744762

IUPAC2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H8F6N2O2/c17-15(18,19)10-5-3-4-9(8-10)13-23-24-14(25-13)11-6-1-2-7-12(11)26-16(20,21)22/h1-8H
InChIKeyIUXBELDMBILDLB-UHFFFAOYSA-N
MW374.24 g/mol
LogP5.32
Rot. Bonds3

About 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2744762) has the molecular formula C16H8F6N2O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2744762
Molecular FormulaC16H8F6N2O2
Molecular Weight374.24 g/mol
Exact Mass374.05
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H8F6N2O2/c17-15(18,19)10-5-3-4-9(8-10)13-23-24-14(25-13)11-6-1-2-7-12(11)26-16(20,21)22/h1-8H
InChIKeyIUXBELDMBILDLB-UHFFFAOYSA-N
XLogP5.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2744762) is 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IUXBELDMBILDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O2/c17-15(18,19)10-5-3-4-9(8-10)13-23-24-14(25-13)11-6-1-2-7-12(11)26-16(20,21)22/h1-8H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 374.24 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).