3-(2,2-difluoroethoxy)-1H-pyrazin-2-one

C6H6F2N2O2 — CID 103241903

IUPAC3-(2,2-difluoroethoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-4(8)3-12-6-5(11)9-1-2-10-6/h1-2,4H,3H2,(H,9,11)
InChIKeyUZZSRTLYKZSAQW-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.41
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one

3-(2,2-difluoroethoxy)-1H-pyrazin-2-one (PubChem CID 103241903) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1H-pyrazin-2-one
PubChem CID103241903
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name3-(2,2-difluoroethoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-4(8)3-12-6-5(11)9-1-2-10-6/h1-2,4H,3H2,(H,9,11)
InChIKeyUZZSRTLYKZSAQW-UHFFFAOYSA-N
XLogP0.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one (CID 103241903) is 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one is O=c1[nH]ccnc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one?
The InChIKey is UZZSRTLYKZSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-4(8)3-12-6-5(11)9-1-2-10-6/h1-2,4H,3H2,(H,9,11).
What are the key properties of 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one?
3-(2,2-difluoroethoxy)-1H-pyrazin-2-one has a molecular weight of 176.12 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103241903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).