[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate

C6H7FN2O4 — CID 12512972

IUPAC[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)NC(=O)[C@@H]1F
InChIInChI=1S/C6H7FN2O4/c1-2(10)13-5-3(7)4(11)8-6(12)9-5/h3,5H,1H3,(H2,8,9,11,12)/t3-,5+/m0/s1
InChIKeyDHCMCKURNMYGIJ-WVZVXSGGSA-N
MW190.13 g/mol
LogP-0.95
Rot. Bonds1

About [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate

[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate (PubChem CID 12512972) has the molecular formula C6H7FN2O4 and a molecular weight of 190.13 g/mol. Its IUPAC name is [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate.

Molecular Properties

Compound Name[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
PubChem CID12512972
Molecular FormulaC6H7FN2O4
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)NC(=O)[C@@H]1F
InChIInChI=1S/C6H7FN2O4/c1-2(10)13-5-3(7)4(11)8-6(12)9-5/h3,5H,1H3,(H2,8,9,11,12)/t3-,5+/m0/s1
InChIKeyDHCMCKURNMYGIJ-WVZVXSGGSA-N
XLogP-0.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate with MolForge

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Related Compounds

(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione
CID 10241614
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
CID 71408042
5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione
CID 88711666
(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione
CID 13178023
5-fluoro-2,6-dioxo-1,3-diazinane-4-carbaldehyde
CID 78172085
[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
CID 173351934
(4-oxo-3-phenylazetidin-2-yl) acetate
CID 18318993
[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
CID 94839790
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
(3-oxo-2-azabicyclo[2.2.1]heptan-5-yl) acetate
CID 130020157

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate?
The IUPAC name of [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate (CID 12512972) is [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate.
What is the SMILES notation for [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate?
The canonical SMILES for [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate is CC(=O)O[C@H]1NC(=O)NC(=O)[C@@H]1F.
What is the InChIKey of [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate?
The InChIKey is DHCMCKURNMYGIJ-WVZVXSGGSA-N. The full InChI is InChI=1S/C6H7FN2O4/c1-2(10)13-5-3(7)4(11)8-6(12)9-5/h3,5H,1H3,(H2,8,9,11,12)/t3-,5+/m0/s1.
What are the key properties of [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate?
[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate has a molecular weight of 190.13 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate is sourced from PubChem (CID 12512972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).