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

C6H4F4N2O3 — CID 112599020

IUPAC5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1F
InChIInChI=1S/C6H4F4N2O3/c7-2-3(13)11-5(15)12(4(2)14)1-6(8,9)10/h14H,1H2,(H,11,13,15)
InChIKeyRTXFHKRUDRBOOB-UHFFFAOYSA-N
MW228.10 g/mol
LogP-0.06
Rot. Bonds1

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

5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 112599020) has the molecular formula C6H4F4N2O3 and a molecular weight of 228.10 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID112599020
Molecular FormulaC6H4F4N2O3
Molecular Weight228.10 g/mol
Exact Mass228.02
IUPAC Name5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1F
InChIInChI=1S/C6H4F4N2O3/c7-2-3(13)11-5(15)12(4(2)14)1-6(8,9)10/h14H,1H2,(H,11,13,15)
InChIKeyRTXFHKRUDRBOOB-UHFFFAOYSA-N
XLogP-0.06
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 112599020) is 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is RTXFHKRUDRBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O3/c7-2-3(13)11-5(15)12(4(2)14)1-6(8,9)10/h14H,1H2,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 228.10 g/mol, XLogP of -0.06, 1 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-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).