(5R)-5-fluoro-1,3-diazinane-2,4-dione

C4H5FN2O2 — CID 23236029

IUPAC(5R)-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC[C@@H](F)C(=O)N1
InChIInChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m1/s1
InChIKeyRAIRJKWTBBDDAR-UWTATZPHSA-N
MW132.09 g/mol
LogP-0.84
Rot. Bonds

About (5R)-5-fluoro-1,3-diazinane-2,4-dione

(5R)-5-fluoro-1,3-diazinane-2,4-dione (PubChem CID 23236029) has the molecular formula C4H5FN2O2 and a molecular weight of 132.09 g/mol. Its IUPAC name is (5R)-5-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-fluoro-1,3-diazinane-2,4-dione
PubChem CID23236029
Molecular FormulaC4H5FN2O2
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name(5R)-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC[C@@H](F)C(=O)N1
InChIInChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m1/s1
InChIKeyRAIRJKWTBBDDAR-UWTATZPHSA-N
XLogP-0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of (5R)-5-fluoro-1,3-diazinane-2,4-dione (CID 23236029) is (5R)-5-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5R)-5-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for (5R)-5-fluoro-1,3-diazinane-2,4-dione is O=C1NC[C@@H](F)C(=O)N1.
What is the InChIKey of (5R)-5-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is RAIRJKWTBBDDAR-UWTATZPHSA-N. The full InChI is InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m1/s1.
What are the key properties of (5R)-5-fluoro-1,3-diazinane-2,4-dione?
(5R)-5-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 132.09 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23236029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).