5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one

C4H7FN4O3 — CID 135428254

IUPAC5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one
SMILESO=C1NC(=NO)C(F)C(NO)N1
InChIInChI=1S/C4H7FN4O3/c5-1-2(8-11)6-4(10)7-3(1)9-12/h1-2,8,11-12H,(H2,6,7,9,10)
InChIKeyLWWXCISNIBMHOL-UHFFFAOYSA-N
MW178.12 g/mol
LogP-1.27
Rot. Bonds1

About 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one

5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one (PubChem CID 135428254) has the molecular formula C4H7FN4O3 and a molecular weight of 178.12 g/mol. Its IUPAC name is 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one
PubChem CID135428254
Molecular FormulaC4H7FN4O3
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one
SMILESO=C1NC(=NO)C(F)C(NO)N1
InChIInChI=1S/C4H7FN4O3/c5-1-2(8-11)6-4(10)7-3(1)9-12/h1-2,8,11-12H,(H2,6,7,9,10)
InChIKeyLWWXCISNIBMHOL-UHFFFAOYSA-N
XLogP-1.27
TPSA105.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one?
The IUPAC name of 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one (CID 135428254) is 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one.
What is the SMILES notation for 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one?
The canonical SMILES for 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one is O=C1NC(=NO)C(F)C(NO)N1.
What is the InChIKey of 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one?
The InChIKey is LWWXCISNIBMHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4O3/c5-1-2(8-11)6-4(10)7-3(1)9-12/h1-2,8,11-12H,(H2,6,7,9,10).
What are the key properties of 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one?
5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one has a molecular weight of 178.12 g/mol, XLogP of -1.27, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(hydroxyamino)-6-hydroxyimino-1,3-diazinan-2-one is sourced from PubChem (CID 135428254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).