5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one

C4H5F2N3O2 — CID 153466566

IUPAC5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one
SMILES[H]/N=C1\NC(=O)NC(O)C1(F)F
InChIInChI=1S/C4H5F2N3O2/c5-4(6)1(7)8-3(11)9-2(4)10/h2,10H,(H3,7,8,9,11)
InChIKeyBYNLFGOHNSXEQW-UHFFFAOYSA-N
MW165.10 g/mol
LogP-0.77
Rot. Bonds

About 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one

5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one (PubChem CID 153466566) has the molecular formula C4H5F2N3O2 and a molecular weight of 165.10 g/mol. Its IUPAC name is 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one.

Molecular Properties

Compound Name5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one
PubChem CID153466566
Molecular FormulaC4H5F2N3O2
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Name5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one
SMILES[H]/N=C1\NC(=O)NC(O)C1(F)F
InChIInChI=1S/C4H5F2N3O2/c5-4(6)1(7)8-3(11)9-2(4)10/h2,10H,(H3,7,8,9,11)
InChIKeyBYNLFGOHNSXEQW-UHFFFAOYSA-N
XLogP-0.77
TPSA85.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one?
The IUPAC name of 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one (CID 153466566) is 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one.
What is the SMILES notation for 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one?
The canonical SMILES for 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one is [H]/N=C1\NC(=O)NC(O)C1(F)F.
What is the InChIKey of 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one?
The InChIKey is BYNLFGOHNSXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3O2/c5-4(6)1(7)8-3(11)9-2(4)10/h2,10H,(H3,7,8,9,11).
What are the key properties of 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one?
5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one has a molecular weight of 165.10 g/mol, XLogP of -0.77, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-hydroxy-6-imino-1,3-diazinan-2-one is sourced from PubChem (CID 153466566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).