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

C4H5FN2O2 — CID 73474406

IUPAC3-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1F
InChIInChI=1S/C4H5FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H2,(H,6,9)
InChIKeyWAYANVOMMPKMSN-UHFFFAOYSA-N
MW132.09 g/mol
LogP-0.19
Rot. Bonds

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

3-fluoro-1,3-diazinane-2,4-dione (PubChem CID 73474406) has the molecular formula C4H5FN2O2 and a molecular weight of 132.09 g/mol. Its IUPAC name is 3-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1,3-diazinane-2,4-dione
PubChem CID73474406
Molecular FormulaC4H5FN2O2
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name3-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1F
InChIInChI=1S/C4H5FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H2,(H,6,9)
InChIKeyWAYANVOMMPKMSN-UHFFFAOYSA-N
XLogP-0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of 3-fluoro-1,3-diazinane-2,4-dione (CID 73474406) is 3-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-fluoro-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1F.
What is the InChIKey of 3-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is WAYANVOMMPKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2/c5-7-3(8)1-2-6-4(7)9/h1-2H2,(H,6,9).
What are the key properties of 3-fluoro-1,3-diazinane-2,4-dione?
3-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 132.09 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73474406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).