(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione

C8H13FN2O3 — CID 139202264

IUPAC(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCO[C@]1(C)[C@H](F)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C8H13FN2O3/c1-8(14-4)5(9)6(12)10(2)7(13)11(8)3/h5H,1-4H3/t5-,8-/m1/s1
InChIKeyXMZOSDCIQJFSAX-SVGQVSJJSA-N
MW204.20 g/mol
LogP0.21
Rot. Bonds1

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

(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione (PubChem CID 139202264) has the molecular formula C8H13FN2O3 and a molecular weight of 204.20 g/mol. Its IUPAC name is (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione
PubChem CID139202264
Molecular FormulaC8H13FN2O3
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione
SMILESCO[C@]1(C)[C@H](F)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C8H13FN2O3/c1-8(14-4)5(9)6(12)10(2)7(13)11(8)3/h5H,1-4H3/t5-,8-/m1/s1
InChIKeyXMZOSDCIQJFSAX-SVGQVSJJSA-N
XLogP0.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione (CID 139202264) is (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione is CO[C@]1(C)[C@H](F)C(=O)N(C)C(=O)N1C.
What is the InChIKey of (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
The InChIKey is XMZOSDCIQJFSAX-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H13FN2O3/c1-8(14-4)5(9)6(12)10(2)7(13)11(8)3/h5H,1-4H3/t5-,8-/m1/s1.
What are the key properties of (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione?
(5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione has a molecular weight of 204.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-fluoro-6-methoxy-1,3,6-trimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 139202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).