3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde

C11H7F3N2O — CID 87324786

IUPAC3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
SMILESCc1nc2cc(C(F)(F)F)ccc2nc1C=O
InChIInChI=1S/C11H7F3N2O/c1-6-10(5-17)16-8-3-2-7(11(12,13)14)4-9(8)15-6/h2-5H,1H3
InChIKeyYKXDAJTVJCBJDQ-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.77
Rot. Bonds1

About 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde

3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde (PubChem CID 87324786) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
PubChem CID87324786
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
SMILESCc1nc2cc(C(F)(F)F)ccc2nc1C=O
InChIInChI=1S/C11H7F3N2O/c1-6-10(5-17)16-8-3-2-7(11(12,13)14)4-9(8)15-6/h2-5H,1H3
InChIKeyYKXDAJTVJCBJDQ-UHFFFAOYSA-N
XLogP2.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde?
The IUPAC name of 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde (CID 87324786) is 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde is Cc1nc2cc(C(F)(F)F)ccc2nc1C=O.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde?
The InChIKey is YKXDAJTVJCBJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c1-6-10(5-17)16-8-3-2-7(11(12,13)14)4-9(8)15-6/h2-5H,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde?
3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde has a molecular weight of 240.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde is sourced from PubChem (CID 87324786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).