6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

C7H6F4N2O3 — CID 106290892

IUPAC6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F4N2O3/c8-5(9)7(10,11)2-13-4(15)1-3(14)12-6(13)16/h1,5,15H,2H2,(H,12,14,16)
InChIKeyMDYHBRVYWGBBND-UHFFFAOYSA-N
MW242.13 g/mol
LogP0.14
Rot. Bonds3

About 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione

6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (PubChem CID 106290892) has the molecular formula C7H6F4N2O3 and a molecular weight of 242.13 g/mol. Its IUPAC name is 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
PubChem CID106290892
Molecular FormulaC7H6F4N2O3
Molecular Weight242.13 g/mol
Exact Mass242.03
IUPAC Name6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F4N2O3/c8-5(9)7(10,11)2-13-4(15)1-3(14)12-6(13)16/h1,5,15H,2H2,(H,12,14,16)
InChIKeyMDYHBRVYWGBBND-UHFFFAOYSA-N
XLogP0.14
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (CID 106290892) is 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is O=c1cc(O)n(CC(F)(F)C(F)F)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is MDYHBRVYWGBBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O3/c8-5(9)7(10,11)2-13-4(15)1-3(14)12-6(13)16/h1,5,15H,2H2,(H,12,14,16).
What are the key properties of 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 242.13 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106290892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).