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

C9H10F2N2O2 — CID 103147034

IUPAC3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,9H,1,4,6H2
InChIKeyHLPADOQQTHMYFF-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.33
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one (PubChem CID 103147034) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
PubChem CID103147034
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,9H,1,4,6H2
InChIKeyHLPADOQQTHMYFF-UHFFFAOYSA-N
XLogP1.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one (CID 103147034) is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one is O=C(CCOCC(F)F)c1cnccn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one?
The InChIKey is HLPADOQQTHMYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-9(11)6-15-4-1-8(14)7-5-12-2-3-13-7/h2-3,5,9H,1,4,6H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one?
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one has a molecular weight of 216.19 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 103147034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).