4-amino-6-fluoro-1,3-diazinan-2-one

C4H8FN3O — CID 45033396

IUPAC4-amino-6-fluoro-1,3-diazinan-2-one
SMILESNC1CC(F)NC(=O)N1
InChIInChI=1S/C4H8FN3O/c5-2-1-3(6)8-4(9)7-2/h2-3H,1,6H2,(H2,7,8,9)
InChIKeyVHDKSZYRPVIKAR-UHFFFAOYSA-N
MW133.13 g/mol
LogP-0.73
Rot. Bonds

About 4-amino-6-fluoro-1,3-diazinan-2-one

4-amino-6-fluoro-1,3-diazinan-2-one (PubChem CID 45033396) has the molecular formula C4H8FN3O and a molecular weight of 133.13 g/mol. Its IUPAC name is 4-amino-6-fluoro-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-amino-6-fluoro-1,3-diazinan-2-one
PubChem CID45033396
Molecular FormulaC4H8FN3O
Molecular Weight133.13 g/mol
Exact Mass133.07
IUPAC Name4-amino-6-fluoro-1,3-diazinan-2-one
SMILESNC1CC(F)NC(=O)N1
InChIInChI=1S/C4H8FN3O/c5-2-1-3(6)8-4(9)7-2/h2-3H,1,6H2,(H2,7,8,9)
InChIKeyVHDKSZYRPVIKAR-UHFFFAOYSA-N
XLogP-0.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-1,3-diazinan-2-one?
The IUPAC name of 4-amino-6-fluoro-1,3-diazinan-2-one (CID 45033396) is 4-amino-6-fluoro-1,3-diazinan-2-one.
What is the SMILES notation for 4-amino-6-fluoro-1,3-diazinan-2-one?
The canonical SMILES for 4-amino-6-fluoro-1,3-diazinan-2-one is NC1CC(F)NC(=O)N1.
What is the InChIKey of 4-amino-6-fluoro-1,3-diazinan-2-one?
The InChIKey is VHDKSZYRPVIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3O/c5-2-1-3(6)8-4(9)7-2/h2-3H,1,6H2,(H2,7,8,9).
What are the key properties of 4-amino-6-fluoro-1,3-diazinan-2-one?
4-amino-6-fluoro-1,3-diazinan-2-one has a molecular weight of 133.13 g/mol, XLogP of -0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-1,3-diazinan-2-one is sourced from PubChem (CID 45033396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).