5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one

C14H7F3N2O2 — CID 23042051

IUPAC5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1F
InChIInChI=1S/C14H7F3N2O2/c15-8-4-1-2-7-11(8)19-14(20)21-13(18-19)12-9(16)5-3-6-10(12)17/h1-7H
InChIKeyLUPXZJFZYALGHA-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.91
Rot. Bonds2

About 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one

5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 23042051) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID23042051
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1F
InChIInChI=1S/C14H7F3N2O2/c15-8-4-1-2-7-11(8)19-14(20)21-13(18-19)12-9(16)5-3-6-10(12)17/h1-7H
InChIKeyLUPXZJFZYALGHA-UHFFFAOYSA-N
XLogP2.91
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.91
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-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 23042051) is 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2c(F)cccc2F)nn1-c1ccccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is LUPXZJFZYALGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-8-4-1-2-7-11(8)19-14(20)21-13(18-19)12-9(16)5-3-6-10(12)17/h1-7H.
What are the key properties of 5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one?
5-(2,6-difluorophenyl)-3-(2-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 292.22 g/mol, XLogP of 2.91, 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-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 23042051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).