3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole

C9H6F2N2O — CID 154931672

IUPAC3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1-c1c(F)cccc1F
InChIInChI=1S/C9H6F2N2O/c1-5-9(13-14-12-5)8-6(10)3-2-4-7(8)11/h2-4H,1H3
InChIKeyCEIPBJDXJHVFEJ-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.32
Rot. Bonds1

About 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole

3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole (PubChem CID 154931672) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole
PubChem CID154931672
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1-c1c(F)cccc1F
InChIInChI=1S/C9H6F2N2O/c1-5-9(13-14-12-5)8-6(10)3-2-4-7(8)11/h2-4H,1H3
InChIKeyCEIPBJDXJHVFEJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole (CID 154931672) is 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole is Cc1nonc1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole?
The InChIKey is CEIPBJDXJHVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c1-5-9(13-14-12-5)8-6(10)3-2-4-7(8)11/h2-4H,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole?
3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole has a molecular weight of 196.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 154931672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).