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

C9H3ClF4N2O2 — CID 21189947

IUPAC6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H3ClF4N2O2/c10-5-2(11)1-3-6(4(5)9(12,13)14)16-8(18)7(17)15-3/h1H,(H,15,17)(H,16,18)
InChIKeyXEEVUUGUEFUIJW-UHFFFAOYSA-N
MW282.58 g/mol
LogP2.03
Rot. Bonds

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

6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 21189947) has the molecular formula C9H3ClF4N2O2 and a molecular weight of 282.58 g/mol. Its IUPAC name is 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID21189947
Molecular FormulaC9H3ClF4N2O2
Molecular Weight282.58 g/mol
Exact Mass281.98
IUPAC Name6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H3ClF4N2O2/c10-5-2(11)1-3-6(4(5)9(12,13)14)16-8(18)7(17)15-3/h1H,(H,15,17)(H,16,18)
InChIKeyXEEVUUGUEFUIJW-UHFFFAOYSA-N
XLogP2.03
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 21189947) is 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(Cl)c(C(F)(F)F)c2[nH]c1=O.
What is the InChIKey of 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is XEEVUUGUEFUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF4N2O2/c10-5-2(11)1-3-6(4(5)9(12,13)14)16-8(18)7(17)15-3/h1H,(H,15,17)(H,16,18).
What are the key properties of 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 282.58 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 21189947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).