6,8-difluoro-8H-3,1-benzoxazine-2,4-dione

C8H3F2NO3 — CID 76982746

IUPAC6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
SMILESO=C1N=C2C(=CC(F)=CC2F)C(=O)O1
InChIInChI=1S/C8H3F2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2,5H
InChIKeyLGCGQWYJEKODJG-UHFFFAOYSA-N
MW199.11 g/mol
LogP1.24
Rot. Bonds

About 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione

6,8-difluoro-8H-3,1-benzoxazine-2,4-dione (PubChem CID 76982746) has the molecular formula C8H3F2NO3 and a molecular weight of 199.11 g/mol. Its IUPAC name is 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
PubChem CID76982746
Molecular FormulaC8H3F2NO3
Molecular Weight199.11 g/mol
Exact Mass199.01
IUPAC Name6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
SMILESO=C1N=C2C(=CC(F)=CC2F)C(=O)O1
InChIInChI=1S/C8H3F2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2,5H
InChIKeyLGCGQWYJEKODJG-UHFFFAOYSA-N
XLogP1.24
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-8H-3,1-benzoxazine-2,4-dione
CID 71302988
6-fluoro-6H-3,1-benzoxazine-2,4-dione
CID 71303954
5,8-difluoro-8H-3,1-benzoxazine-2,4-dione
CID 72210822
6-(trifluoromethyl)-6H-3,1-benzoxazine-2,4-dione
CID 76079274
8-fluoro-7-methoxy-8H-3,1-benzoxazine-2,4-dione
CID 137698763
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303786
7-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 85439331
6,8-dibromo-8H-3,1-benzoxazine-2,4-dione
CID 85444618

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione (CID 76982746) is 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione is O=C1N=C2C(=CC(F)=CC2F)C(=O)O1.
What is the InChIKey of 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione?
The InChIKey is LGCGQWYJEKODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2,5H.
What are the key properties of 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione?
6,8-difluoro-8H-3,1-benzoxazine-2,4-dione has a molecular weight of 199.11 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-8H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 76982746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).