5-bromo-5-fluoro-1,3-diazinane-2,4-dione

C4H4BrFN2O2 — CID 175490731

IUPAC5-bromo-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NCC(F)(Br)C(=O)N1
InChIInChI=1S/C4H4BrFN2O2/c5-4(6)1-7-3(10)8-2(4)9/h1H2,(H2,7,8,9,10)
InChIKeySIRIBHCFJOVPOR-UHFFFAOYSA-N
MW210.99 g/mol
LogP-0.11
Rot. Bonds

About 5-bromo-5-fluoro-1,3-diazinane-2,4-dione

5-bromo-5-fluoro-1,3-diazinane-2,4-dione (PubChem CID 175490731) has the molecular formula C4H4BrFN2O2 and a molecular weight of 210.99 g/mol. Its IUPAC name is 5-bromo-5-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-bromo-5-fluoro-1,3-diazinane-2,4-dione
PubChem CID175490731
Molecular FormulaC4H4BrFN2O2
Molecular Weight210.99 g/mol
Exact Mass209.94
IUPAC Name5-bromo-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NCC(F)(Br)C(=O)N1
InChIInChI=1S/C4H4BrFN2O2/c5-4(6)1-7-3(10)8-2(4)9/h1H2,(H2,7,8,9,10)
InChIKeySIRIBHCFJOVPOR-UHFFFAOYSA-N
XLogP-0.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.99
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of 5-bromo-5-fluoro-1,3-diazinane-2,4-dione (CID 175490731) is 5-bromo-5-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-bromo-5-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-bromo-5-fluoro-1,3-diazinane-2,4-dione is O=C1NCC(F)(Br)C(=O)N1.
What is the InChIKey of 5-bromo-5-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is SIRIBHCFJOVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrFN2O2/c5-4(6)1-7-3(10)8-2(4)9/h1H2,(H2,7,8,9,10).
What are the key properties of 5-bromo-5-fluoro-1,3-diazinane-2,4-dione?
5-bromo-5-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 210.99 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 175490731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).