3-(trifluoromethyl)quinoxaline-2-carboxylic acid

C10H5F3N2O2 — CID 66545091

IUPAC3-(trifluoromethyl)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17)
InChIKeyCALWBEPGJZCNIE-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.35
Rot. Bonds1

About 3-(trifluoromethyl)quinoxaline-2-carboxylic acid

3-(trifluoromethyl)quinoxaline-2-carboxylic acid (PubChem CID 66545091) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)quinoxaline-2-carboxylic acid
PubChem CID66545091
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name3-(trifluoromethyl)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17)
InChIKeyCALWBEPGJZCNIE-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)quinoxaline-2-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)quinoxaline-2-carboxylic acid (CID 66545091) is 3-(trifluoromethyl)quinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)quinoxaline-2-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)quinoxaline-2-carboxylic acid is O=C(O)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)quinoxaline-2-carboxylic acid?
The InChIKey is CALWBEPGJZCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17).
What are the key properties of 3-(trifluoromethyl)quinoxaline-2-carboxylic acid?
3-(trifluoromethyl)quinoxaline-2-carboxylic acid has a molecular weight of 242.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)quinoxaline-2-carboxylic acid is sourced from PubChem (CID 66545091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).