5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

C7H6F4N2O3 — CID 112600571

IUPAC5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1F
InChIInChI=1S/C7H6F4N2O3/c8-3-4(14)12-6(16)13(5(3)15)2-1-7(9,10)11/h15H,1-2H2,(H,12,14,16)
InChIKeyPKCAZNRNKWZWHF-UHFFFAOYSA-N
MW242.13 g/mol
LogP0.33
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (PubChem CID 112600571) has the molecular formula C7H6F4N2O3 and a molecular weight of 242.13 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
PubChem CID112600571
Molecular FormulaC7H6F4N2O3
Molecular Weight242.13 g/mol
Exact Mass242.03
IUPAC Name5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1F
InChIInChI=1S/C7H6F4N2O3/c8-3-4(14)12-6(16)13(5(3)15)2-1-7(9,10)11/h15H,1-2H2,(H,12,14,16)
InChIKeyPKCAZNRNKWZWHF-UHFFFAOYSA-N
XLogP0.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 50.33
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-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (CID 112600571) is 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The InChIKey is PKCAZNRNKWZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O3/c8-3-4(14)12-6(16)13(5(3)15)2-1-7(9,10)11/h15H,1-2H2,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione has a molecular weight of 242.13 g/mol, XLogP of 0.33, 2 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-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).