4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

C14H9F3N2O3 — CID 45490272

IUPAC4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccco2)c1=O
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)18-12(20)13(21)19(11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,20)
InChIKeyIAVHCMLGTOFRTC-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.35
Rot. Bonds2

About 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 45490272) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID45490272
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccco2)c1=O
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)18-12(20)13(21)19(11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,20)
InChIKeyIAVHCMLGTOFRTC-UHFFFAOYSA-N
XLogP2.35
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 45490272) is 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccco2)c1=O.
What is the InChIKey of 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is IAVHCMLGTOFRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)18-12(20)13(21)19(11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,20).
What are the key properties of 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 310.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 45490272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).