6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

C9H3Cl2F3N2O2 — CID 10518232

IUPAC6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H3Cl2F3N2O2/c10-2-1-3-6(16-8(18)7(17)15-3)4(5(2)11)9(12,13)14/h1H,(H,15,17)(H,16,18)
InChIKeyHWGQZTFEUCVLKT-UHFFFAOYSA-N
MW299.04 g/mol
LogP2.54
Rot. Bonds

About 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10518232) has the molecular formula C9H3Cl2F3N2O2 and a molecular weight of 299.04 g/mol. Its IUPAC name is 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10518232
Molecular FormulaC9H3Cl2F3N2O2
Molecular Weight299.04 g/mol
Exact Mass297.95
IUPAC Name6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H3Cl2F3N2O2/c10-2-1-3-6(16-8(18)7(17)15-3)4(5(2)11)9(12,13)14/h1H,(H,15,17)(H,16,18)
InChIKeyHWGQZTFEUCVLKT-UHFFFAOYSA-N
XLogP2.54
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.04
LogP ≤ 52.54
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

Acea 1011
CID 127872
6-Chloro-7-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10512659
5,6-Dichloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10542132
5-Amino-7-chloro-6-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10561180
6-Chloro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611689
7-Chloro-5-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611690
6-Chloro-7-ethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10823051
8-Amino-5-chloro-7-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10802656
6-Amino-7-chloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10492969
7-chloro-1-hydroxy-5-trifluoromethylquinoxaline-2,3(1H,4H)-dione
CID 19990453
7-chloro-1-hydroxy-6-trifluoromethylquinoxaline-2,3(1H,4H)-dione
CID 19990472
6-Chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 21189947

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10518232) is 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is HWGQZTFEUCVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N2O2/c10-2-1-3-6(16-8(18)7(17)15-3)4(5(2)11)9(12,13)14/h1H,(H,15,17)(H,16,18).
What are the key properties of 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 299.04 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10518232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).