(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione

C8H11FN2O3 — CID 13178023

IUPAC(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione
SMILESC=CCCO[C@H]1NC(=O)NC(=O)[C@H]1F
InChIInChI=1S/C8H11FN2O3/c1-2-3-4-14-7-5(9)6(12)10-8(13)11-7/h2,5,7H,1,3-4H2,(H2,10,11,12,13)/t5-,7-/m1/s1
InChIKeyWDUDINPRYYTMSU-IYSWYEEDSA-N
MW202.18 g/mol
LogP0.08
Rot. Bonds4

About (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione

(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione (PubChem CID 13178023) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione
PubChem CID13178023
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione
SMILESC=CCCO[C@H]1NC(=O)NC(=O)[C@H]1F
InChIInChI=1S/C8H11FN2O3/c1-2-3-4-14-7-5(9)6(12)10-8(13)11-7/h2,5,7H,1,3-4H2,(H2,10,11,12,13)/t5-,7-/m1/s1
InChIKeyWDUDINPRYYTMSU-IYSWYEEDSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione (CID 13178023) is (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione is C=CCCO[C@H]1NC(=O)NC(=O)[C@H]1F.
What is the InChIKey of (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is WDUDINPRYYTMSU-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-2-3-4-14-7-5(9)6(12)10-8(13)11-7/h2,5,7H,1,3-4H2,(H2,10,11,12,13)/t5-,7-/m1/s1.
What are the key properties of (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione?
(5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-but-3-enoxy-5-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 13178023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).