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

C15H7F5N2O2 — CID 626862

IUPAC3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7F5N2O2/c16-10-5-2-6-11(17)12(10)13-21-24-14(23)22(13)9-4-1-3-8(7-9)15(18,19)20/h1-7H
InChIKeyJJNGSCYTKDINKX-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.79
Rot. Bonds2

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

3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (PubChem CID 626862) has the molecular formula C15H7F5N2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
PubChem CID626862
Molecular FormulaC15H7F5N2O2
Molecular Weight342.22 g/mol
Exact Mass342.04
IUPAC Name3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7F5N2O2/c16-10-5-2-6-11(17)12(10)13-21-24-14(23)22(13)9-4-1-3-8(7-9)15(18,19)20/h1-7H
InChIKeyJJNGSCYTKDINKX-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 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (CID 626862) is 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2c(F)cccc2F)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is JJNGSCYTKDINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O2/c16-10-5-2-6-11(17)12(10)13-21-24-14(23)22(13)9-4-1-3-8(7-9)15(18,19)20/h1-7H.
What are the key properties of 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-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 3-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 626862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).