6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde

C11H9F3N2O2 — CID 169233593

IUPAC6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde
SMILESCC(C)c1oc2ncc(C=O)nc2c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-5(2)9-7(11(12,13)14)8-10(18-9)15-3-6(4-17)16-8/h3-5H,1-2H3
InChIKeyQZIIQUFVYFUHKW-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.18
Rot. Bonds2

About 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde

6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde (PubChem CID 169233593) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde
PubChem CID169233593
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde
SMILESCC(C)c1oc2ncc(C=O)nc2c1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-5(2)9-7(11(12,13)14)8-10(18-9)15-3-6(4-17)16-8/h3-5H,1-2H3
InChIKeyQZIIQUFVYFUHKW-UHFFFAOYSA-N
XLogP3.18
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyloxazolo[4,5-c]pyridine
CID 254125
6-(4-Methylphenyl)-2-[3-(trifluoromethyl)phenyl]furo[2,3-b]pyrazine
CID 135009622
[1]Benzofuro[2,3-b]pyrazine
CID 55297119
2-(2-Fluorophenyl)[1,3]oxazolo[4,5-c]pyridine
CID 19979602
2-[4-(Trifluoromethyl)phenyl]-[1,3]oxazolo[4,5-c]pyridine
CID 19979607
2-(2-FLUOROPHENYL)-6-BUTYRYLOXAZOLO[5,4-b]PYRIDINE
CID 19990493
7-Methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 57432055
2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide
CID 58148081
2-[3-(2,2-Difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 58148269
2-[3-(Methoxymethyl)pyridin-4-yl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66879419
N-[4-(5-trifluoromethylbenzoxazole-2-yl)pyridin-3-yl]acetamide
CID 66879643
2-(3-Ethylpyridin-4-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66879838

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde?
The IUPAC name of 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde (CID 169233593) is 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde is CC(C)c1oc2ncc(C=O)nc2c1C(F)(F)F.
What is the InChIKey of 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde?
The InChIKey is QZIIQUFVYFUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-5(2)9-7(11(12,13)14)8-10(18-9)15-3-6(4-17)16-8/h3-5H,1-2H3.
What are the key properties of 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde?
6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde has a molecular weight of 258.20 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-7-(trifluoromethyl)furo[2,3-b]pyrazine-2-carbaldehyde is sourced from PubChem (CID 169233593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).