2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane

C11H14F2N2OSi — CID 58303305

IUPAC2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C11H14F2N2OSi/c1-17(2,3)5-4-9-6-15-11(7-14-9)16-8-10(12)13/h6-7,10H,8H2,1-3H3
InChIKeyBPRLBNXXYATHMG-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.35
Rot. Bonds3

About 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane

2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane (PubChem CID 58303305) has the molecular formula C11H14F2N2OSi and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
PubChem CID58303305
Molecular FormulaC11H14F2N2OSi
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C11H14F2N2OSi/c1-17(2,3)5-4-9-6-15-11(7-14-9)16-8-10(12)13/h6-7,10H,8H2,1-3H3
InChIKeyBPRLBNXXYATHMG-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane (CID 58303305) is 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cnc(OCC(F)F)cn1.
What is the InChIKey of 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane?
The InChIKey is BPRLBNXXYATHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OSi/c1-17(2,3)5-4-9-6-15-11(7-14-9)16-8-10(12)13/h6-7,10H,8H2,1-3H3.
What are the key properties of 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane?
2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane has a molecular weight of 256.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 58303305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).