1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione

C10H8BrFN2O2 — CID 79778096

IUPAC1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(Br)ccc2F)C(=O)N1
InChIInChI=1S/C10H8BrFN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyQHVYGFFZWKMXOT-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.03
Rot. Bonds1

About 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione

1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 79778096) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione
PubChem CID79778096
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(Br)ccc2F)C(=O)N1
InChIInChI=1S/C10H8BrFN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyQHVYGFFZWKMXOT-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione (CID 79778096) is 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cc(Br)ccc2F)C(=O)N1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is QHVYGFFZWKMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione?
1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 287.09 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).