2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine

C8H10F2N2O4S — CID 118625687

IUPAC2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine
SMILESCS(=O)(=O)c1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N2O4S/c1-17(13,14)7-5-11-6(4-12-7)15-2-3-16-8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyQVVUGPUCRHQLJE-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.50
Rot. Bonds6

About 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine

2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine (PubChem CID 118625687) has the molecular formula C8H10F2N2O4S and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine
PubChem CID118625687
Molecular FormulaC8H10F2N2O4S
Molecular Weight268.24 g/mol
Exact Mass268.03
IUPAC Name2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine
SMILESCS(=O)(=O)c1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N2O4S/c1-17(13,14)7-5-11-6(4-12-7)15-2-3-16-8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyQVVUGPUCRHQLJE-UHFFFAOYSA-N
XLogP0.50
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine?
The IUPAC name of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine (CID 118625687) is 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine?
The canonical SMILES for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine is CS(=O)(=O)c1cnc(OCCOC(F)F)cn1.
What is the InChIKey of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine?
The InChIKey is QVVUGPUCRHQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O4S/c1-17(13,14)7-5-11-6(4-12-7)15-2-3-16-8(9)10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine?
2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine has a molecular weight of 268.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfonylpyrazine is sourced from PubChem (CID 118625687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).