6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one

C8H10F2N2O — CID 178008761

IUPAC6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)C(F)(F)c1cncc(=O)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-5(2)8(9,10)6-3-11-4-7(13)12-6/h3-5H,1-2H3,(H,12,13)
InChIKeyZDERTSZIOVBIMX-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.52
Rot. Bonds2

About 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one

6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 178008761) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one
PubChem CID178008761
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)C(F)(F)c1cncc(=O)[nH]1
InChIInChI=1S/C8H10F2N2O/c1-5(2)8(9,10)6-3-11-4-7(13)12-6/h3-5H,1-2H3,(H,12,13)
InChIKeyZDERTSZIOVBIMX-UHFFFAOYSA-N
XLogP1.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one (CID 178008761) is 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one is CC(C)C(F)(F)c1cncc(=O)[nH]1.
What is the InChIKey of 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is ZDERTSZIOVBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5(2)8(9,10)6-3-11-4-7(13)12-6/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one?
6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 188.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 178008761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).