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

C8H10F2N2O2S — CID 118625746

IUPAC2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine
SMILESCSc1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N2O2S/c1-15-7-5-11-6(4-12-7)13-2-3-14-8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyLYONYMDKGSAUDZ-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.82
Rot. Bonds6

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

2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine (PubChem CID 118625746) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine
PubChem CID118625746
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine
SMILESCSc1cnc(OCCOC(F)F)cn1
InChIInChI=1S/C8H10F2N2O2S/c1-15-7-5-11-6(4-12-7)13-2-3-14-8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyLYONYMDKGSAUDZ-UHFFFAOYSA-N
XLogP1.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methylsulfanylpyrazine?
The IUPAC name of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine (CID 118625746) is 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine?
The canonical SMILES for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine is CSc1cnc(OCCOC(F)F)cn1.
What is the InChIKey of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine?
The InChIKey is LYONYMDKGSAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-15-7-5-11-6(4-12-7)13-2-3-14-8(9)10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine?
2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine has a molecular weight of 236.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethoxy]-5-methylsulfanylpyrazine is sourced from PubChem (CID 118625746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).