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

C7H6F4N2O2 — CID 103240402

IUPAC3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)3-15-5-4(14)12-1-2-13-5/h1-2,6H,3H2,(H,12,14)
InChIKeyPWLLSFOXTGTBGK-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.05
Rot. Bonds4

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

3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one (PubChem CID 103240402) has the molecular formula C7H6F4N2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one
PubChem CID103240402
Molecular FormulaC7H6F4N2O2
Molecular Weight226.13 g/mol
Exact Mass226.04
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)3-15-5-4(14)12-1-2-13-5/h1-2,6H,3H2,(H,12,14)
InChIKeyPWLLSFOXTGTBGK-UHFFFAOYSA-N
XLogP1.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one (CID 103240402) is 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one is O=c1[nH]ccnc1OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one?
The InChIKey is PWLLSFOXTGTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2/c8-6(9)7(10,11)3-15-5-4(14)12-1-2-13-5/h1-2,6H,3H2,(H,12,14).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one?
3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one has a molecular weight of 226.13 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103240402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).