2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

C11H7F2N3O2S — CID 141471114

IUPAC2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESCSc1nnc(COc2cc(F)c(C#N)c(F)c2)o1
InChIInChI=1S/C11H7F2N3O2S/c1-19-11-16-15-10(18-11)5-17-6-2-8(12)7(4-14)9(13)3-6/h2-3H,5H2,1H3
InChIKeyYFGVKOWGDDWATQ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.52
Rot. Bonds4

About 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (PubChem CID 141471114) has the molecular formula C11H7F2N3O2S and a molecular weight of 283.26 g/mol. Its IUPAC name is 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
PubChem CID141471114
Molecular FormulaC11H7F2N3O2S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Name2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESCSc1nnc(COc2cc(F)c(C#N)c(F)c2)o1
InChIInChI=1S/C11H7F2N3O2S/c1-19-11-16-15-10(18-11)5-17-6-2-8(12)7(4-14)9(13)3-6/h2-3H,5H2,1H3
InChIKeyYFGVKOWGDDWATQ-UHFFFAOYSA-N
XLogP2.52
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The IUPAC name of 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (CID 141471114) is 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The canonical SMILES for 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is CSc1nnc(COc2cc(F)c(C#N)c(F)c2)o1.
What is the InChIKey of 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The InChIKey is YFGVKOWGDDWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2S/c1-19-11-16-15-10(18-11)5-17-6-2-8(12)7(4-14)9(13)3-6/h2-3H,5H2,1H3.
What are the key properties of 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile has a molecular weight of 283.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 141471114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).