7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

C7H6F2N2O2 — CID 67316885

IUPAC7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC(F)(F)C=C12
InChIInChI=1S/C7H6F2N2O2/c8-7(9)1-4-6(13)10-2-5(12)11(4)3-7/h1H,2-3H2,(H,10,13)
InChIKeyZAADKNLTWNRTDQ-UHFFFAOYSA-N
MW188.13 g/mol
LogP-0.52
Rot. Bonds

About 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 67316885) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID67316885
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CC(F)(F)C=C12
InChIInChI=1S/C7H6F2N2O2/c8-7(9)1-4-6(13)10-2-5(12)11(4)3-7/h1H,2-3H2,(H,10,13)
InChIKeyZAADKNLTWNRTDQ-UHFFFAOYSA-N
XLogP-0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 67316885) is 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CC(F)(F)C=C12.
What is the InChIKey of 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZAADKNLTWNRTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-7(9)1-4-6(13)10-2-5(12)11(4)3-7/h1H,2-3H2,(H,10,13).
What are the key properties of 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 188.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3,6-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 67316885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).