2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline

C15H8F3N3O3 — CID 1487279

IUPAC2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline
SMILESO=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)13-14(20-12-4-2-1-3-11(12)19-13)24-10-7-5-9(6-8-10)21(22)23/h1-8H
InChIKeyKAQJBKIJZIPEKC-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline

2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline (PubChem CID 1487279) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline
PubChem CID1487279
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC Name2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline
SMILESO=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)13-14(20-12-4-2-1-3-11(12)19-13)24-10-7-5-9(6-8-10)21(22)23/h1-8H
InChIKeyKAQJBKIJZIPEKC-UHFFFAOYSA-N
XLogP4.35
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline (CID 1487279) is 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline is O=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline?
The InChIKey is KAQJBKIJZIPEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-15(17,18)13-14(20-12-4-2-1-3-11(12)19-13)24-10-7-5-9(6-8-10)21(22)23/h1-8H.
What are the key properties of 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline?
2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline has a molecular weight of 335.24 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 1487279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).