5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

C8H8F4N2O3 — CID 112601574

IUPAC5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCC(F)(F)F)c(O)c1F
InChIInChI=1S/C8H8F4N2O3/c9-4-5(15)13-7(17)14(6(4)16)3-1-2-8(10,11)12/h16H,1-3H2,(H,13,15,17)
InChIKeyPXSUWBXGSDPSTL-UHFFFAOYSA-N
MW256.15 g/mol
LogP0.72
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (PubChem CID 112601574) has the molecular formula C8H8F4N2O3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
PubChem CID112601574
Molecular FormulaC8H8F4N2O3
Molecular Weight256.15 g/mol
Exact Mass256.05
IUPAC Name5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCC(F)(F)F)c(O)c1F
InChIInChI=1S/C8H8F4N2O3/c9-4-5(15)13-7(17)14(6(4)16)3-1-2-8(10,11)12/h16H,1-3H2,(H,13,15,17)
InChIKeyPXSUWBXGSDPSTL-UHFFFAOYSA-N
XLogP0.72
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
5-iodo-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115519719
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
2,4-dioxo-1-(4,4,4-trifluorobutyl)pyrimidine-5-sulfonyl chloride
CID 113327218
1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114095411
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (CID 112601574) is 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCCC(F)(F)F)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The InChIKey is PXSUWBXGSDPSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O3/c9-4-5(15)13-7(17)14(6(4)16)3-1-2-8(10,11)12/h16H,1-3H2,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione has a molecular weight of 256.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).