3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde

C8H5F3N2O3 — CID 82375655

IUPAC3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
SMILESO=Cc1occ2c1NC(C(F)(F)F)C(=O)N2
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)6-7(15)12-3-2-16-4(1-14)5(3)13-6/h1-2,6,13H,(H,12,15)
InChIKeyCCXFZLGAJXTUAE-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.39
Rot. Bonds1

About 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde

3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde (PubChem CID 82375655) has the molecular formula C8H5F3N2O3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
PubChem CID82375655
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC Name3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
SMILESO=Cc1occ2c1NC(C(F)(F)F)C(=O)N2
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)6-7(15)12-3-2-16-4(1-14)5(3)13-6/h1-2,6,13H,(H,12,15)
InChIKeyCCXFZLGAJXTUAE-UHFFFAOYSA-N
XLogP1.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde?
The IUPAC name of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde (CID 82375655) is 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde is O=Cc1occ2c1NC(C(F)(F)F)C(=O)N2.
What is the InChIKey of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde?
The InChIKey is CCXFZLGAJXTUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c9-8(10,11)6-7(15)12-3-2-16-4(1-14)5(3)13-6/h1-2,6,13H,(H,12,15).
What are the key properties of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde?
3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde has a molecular weight of 234.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 82375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).