5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one

C15H7F5N2O2 — CID 23042140

IUPAC5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H7F5N2O2/c16-9-5-3-6-10(17)12(9)13-21-22(14(23)24-13)11-7-2-1-4-8(11)15(18,19)20/h1-7H
InChIKeyVFUOARKHSYOIEB-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.79
Rot. Bonds2

About 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one

5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 23042140) has the molecular formula C15H7F5N2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
PubChem CID23042140
Molecular FormulaC15H7F5N2O2
Molecular Weight342.22 g/mol
Exact Mass342.04
IUPAC Name5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H7F5N2O2/c16-9-5-3-6-10(17)12(9)13-21-22(14(23)24-13)11-7-2-1-4-8(11)15(18,19)20/h1-7H
InChIKeyVFUOARKHSYOIEB-UHFFFAOYSA-N
XLogP3.79
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one (CID 23042140) is 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is VFUOARKHSYOIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O2/c16-9-5-3-6-10(17)12(9)13-21-22(14(23)24-13)11-7-2-1-4-8(11)15(18,19)20/h1-7H.
What are the key properties of 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 342.22 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).