5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione

C16H23FN2O3 — CID 10686389

IUPAC5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione
SMILESO=C1CCCCCCCCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H23FN2O3/c17-12-11-19(16(22)18-15(12)21)13-9-7-5-3-1-2-4-6-8-10-14(13)20/h11,13H,1-10H2,(H,18,21,22)
InChIKeyVLQYGQIWTVSUGE-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.70
Rot. Bonds1

About 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione

5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione (PubChem CID 10686389) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione
PubChem CID10686389
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione
SMILESO=C1CCCCCCCCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H23FN2O3/c17-12-11-19(16(22)18-15(12)21)13-9-7-5-3-1-2-4-6-8-10-14(13)20/h11,13H,1-10H2,(H,18,21,22)
InChIKeyVLQYGQIWTVSUGE-UHFFFAOYSA-N
XLogP2.70
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione (CID 10686389) is 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione is O=C1CCCCCCCCCCC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione?
The InChIKey is VLQYGQIWTVSUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-12-11-19(16(22)18-15(12)21)13-9-7-5-3-1-2-4-6-8-10-14(13)20/h11,13H,1-10H2,(H,18,21,22).
What are the key properties of 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione has a molecular weight of 310.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxocyclododecyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10686389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).