[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite

C14H12FN3OS — CID 142095702

IUPAC[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite
SMILESCc1ncc(SF)c(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C14H12FN3OS/c1-8-4-11(6-16)5-9(2)13(8)19-14-12(20-15)7-17-10(3)18-14/h4-5,7H,1-3H3
InChIKeyZSORZPQQRGARNL-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.04
Rot. Bonds3

About [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite

[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite (PubChem CID 142095702) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite
PubChem CID142095702
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite
SMILESCc1ncc(SF)c(Oc2c(C)cc(C#N)cc2C)n1
InChIInChI=1S/C14H12FN3OS/c1-8-4-11(6-16)5-9(2)13(8)19-14-12(20-15)7-17-10(3)18-14/h4-5,7H,1-3H3
InChIKeyZSORZPQQRGARNL-UHFFFAOYSA-N
XLogP4.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite?
The IUPAC name of [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite (CID 142095702) is [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite.
What is the SMILES notation for [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite?
The canonical SMILES for [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite is Cc1ncc(SF)c(Oc2c(C)cc(C#N)cc2C)n1.
What is the InChIKey of [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite?
The InChIKey is ZSORZPQQRGARNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-8-4-11(6-16)5-9(2)13(8)19-14-12(20-15)7-17-10(3)18-14/h4-5,7H,1-3H3.
What are the key properties of [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite?
[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite has a molecular weight of 289.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite is sourced from PubChem (CID 142095702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).