3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde

C8H5F3N2O3 — CID 82375662

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

About 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde

3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde (PubChem CID 82375662) 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-5-carbaldehyde.

Molecular Properties

Compound Name3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde
PubChem CID82375662
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC Name3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde
SMILESO=Cc1occ2c1NC(=O)C(C(F)(F)F)N2
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)6-7(15)13-5-3(12-6)2-16-4(5)1-14/h1-2,6,12H,(H,13,15)
InChIKeyHVXVORAEARWGOH-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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Related Compounds

(3Z)-1,1,1-trifluoro-3-[4-[5-(trifluoromethyl)furan-3-yl]piperazin-2-ylidene]propan-2-one
CID 146168291
3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carbaldehyde
CID 82375655
(2R)-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375633
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-7-carboxylic acid
CID 82375634
(2R)-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375639
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
CID 82375640
(2S)-1-methyl-3-oxo-2-propan-2-yl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
CID 82375644
1-Methyl-3-oxo-2-propyl-2,4-dihydrofuro[3,4-b]pyrazine-5-carboxylic acid
CID 82375645
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
CID 82375647
(3S)-3-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
CID 82375648
2-Oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde
CID 82375649
1'-Methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde
CID 82375650

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde?
The IUPAC name of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde (CID 82375662) is 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde.
What is the SMILES notation for 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde?
The canonical SMILES for 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde is O=Cc1occ2c1NC(=O)C(C(F)(F)F)N2.
What is the InChIKey of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde?
The InChIKey is HVXVORAEARWGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c9-8(10,11)6-7(15)13-5-3(12-6)2-16-4(5)1-14/h1-2,6,12H,(H,13,15).
What are the key properties of 3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carbaldehyde?
3-oxo-2-(trifluoromethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-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-5-carbaldehyde is sourced from PubChem (CID 82375662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).