6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione

C9H4F2N2O3 — CID 23354200

IUPAC6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
SMILESO=c1[nH]c2cc(F)cc(F)c2[nH]c(=O)c1=O
InChIInChI=1S/C9H4F2N2O3/c10-3-1-4(11)6-5(2-3)12-8(15)7(14)9(16)13-6/h1-2H,(H2,12,13,14,15,16)
InChIKeyOCAXFDXIWXMYBI-UHFFFAOYSA-N
MW226.14 g/mol
LogP-0.15
Rot. Bonds

About 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione

6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione (PubChem CID 23354200) has the molecular formula C9H4F2N2O3 and a molecular weight of 226.14 g/mol. Its IUPAC name is 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione.

Molecular Properties

Compound Name6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
PubChem CID23354200
Molecular FormulaC9H4F2N2O3
Molecular Weight226.14 g/mol
Exact Mass226.02
IUPAC Name6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
SMILESO=c1[nH]c2cc(F)cc(F)c2[nH]c(=O)c1=O
InChIInChI=1S/C9H4F2N2O3/c10-3-1-4(11)6-5(2-3)12-8(15)7(14)9(16)13-6/h1-2H,(H2,12,13,14,15,16)
InChIKeyOCAXFDXIWXMYBI-UHFFFAOYSA-N
XLogP-0.15
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19604393
3-(aminomethyl)-5,7-difluoro-1H-quinolin-2-one
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1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
CID 57134343
6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62913301
1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
CID 12917041
7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
CID 18929961
2-ethyl-5,7-difluoro-3-methyl-1H-quinolin-4-one
CID 63561464
2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
CID 63561297
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10682422
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710717

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione?
The IUPAC name of 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione (CID 23354200) is 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione.
What is the SMILES notation for 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione?
The canonical SMILES for 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione is O=c1[nH]c2cc(F)cc(F)c2[nH]c(=O)c1=O.
What is the InChIKey of 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione?
The InChIKey is OCAXFDXIWXMYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N2O3/c10-3-1-4(11)6-5(2-3)12-8(15)7(14)9(16)13-6/h1-2H,(H2,12,13,14,15,16).
What are the key properties of 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione?
6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione has a molecular weight of 226.14 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1,5-dihydro-1,5-benzodiazepine-2,3,4-trione is sourced from PubChem (CID 23354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).