6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride

C9H6ClF3N2O2 — CID 140995294

IUPAC6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
SMILESCl.O=c1[nH]c2ccc(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C9H5F3N2O2.ClH/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;/h1-3H,(H,13,15)(H,14,16);1H
InChIKeyZZTZPERABZTDOR-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.66
Rot. Bonds

About 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride

6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride (PubChem CID 140995294) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
PubChem CID140995294
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
SMILESCl.O=c1[nH]c2ccc(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C9H5F3N2O2.ClH/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;/h1-3H,(H,13,15)(H,14,16);1H
InChIKeyZZTZPERABZTDOR-UHFFFAOYSA-N
XLogP1.66
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474550
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 151888747
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 123788014
3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 90950544
(2-oxo-1,3-dihydrobenzimidazol-5-yl)-[3-(trifluoromethyl)anilino]methanediolate
CID 162128884
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one
CID 105454970
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride (CID 140995294) is 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride is Cl.O=c1[nH]c2ccc(C(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
The InChIKey is ZZTZPERABZTDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.ClH/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;/h1-3H,(H,13,15)(H,14,16);1H.
What are the key properties of 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride?
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride has a molecular weight of 266.61 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 140995294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).