6-chloro-5,7-difluoroquinoxaline-2,3-dione

C8HClF2N2O2 — CID 54384976

IUPAC6-chloro-5,7-difluoroquinoxaline-2,3-dione
SMILESO=C1N=c2cc(F)c(Cl)c(F)c2=NC1=O
InChIInChI=1S/C8HClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H
InChIKeyVCOPRRQIBJMICZ-UHFFFAOYSA-N
MW230.56 g/mol
LogP-0.08
Rot. Bonds

About 6-chloro-5,7-difluoroquinoxaline-2,3-dione

6-chloro-5,7-difluoroquinoxaline-2,3-dione (PubChem CID 54384976) has the molecular formula C8HClF2N2O2 and a molecular weight of 230.56 g/mol. Its IUPAC name is 6-chloro-5,7-difluoroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-5,7-difluoroquinoxaline-2,3-dione
PubChem CID54384976
Molecular FormulaC8HClF2N2O2
Molecular Weight230.56 g/mol
Exact Mass229.97
IUPAC Name6-chloro-5,7-difluoroquinoxaline-2,3-dione
SMILESO=C1N=c2cc(F)c(Cl)c(F)c2=NC1=O
InChIInChI=1S/C8HClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H
InChIKeyVCOPRRQIBJMICZ-UHFFFAOYSA-N
XLogP-0.08
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.56
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-difluoroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-5,7-difluoroquinoxaline-2,3-dione (CID 54384976) is 6-chloro-5,7-difluoroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-5,7-difluoroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-5,7-difluoroquinoxaline-2,3-dione is O=C1N=c2cc(F)c(Cl)c(F)c2=NC1=O.
What is the InChIKey of 6-chloro-5,7-difluoroquinoxaline-2,3-dione?
The InChIKey is VCOPRRQIBJMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H.
What are the key properties of 6-chloro-5,7-difluoroquinoxaline-2,3-dione?
6-chloro-5,7-difluoroquinoxaline-2,3-dione has a molecular weight of 230.56 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-difluoroquinoxaline-2,3-dione is sourced from PubChem (CID 54384976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).