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

C7H5F5N2O3 — CID 106290900

IUPAC5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)C(F)F)c(O)c1F
InChIInChI=1S/C7H5F5N2O3/c8-2-3(15)13-6(17)14(4(2)16)1-7(11,12)5(9)10/h5,16H,1H2,(H,13,15,17)
InChIKeyJMASZIQEIVOESY-UHFFFAOYSA-N
MW260.12 g/mol
LogP0.28
Rot. Bonds3

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

5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (PubChem CID 106290900) has the molecular formula C7H5F5N2O3 and a molecular weight of 260.12 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
PubChem CID106290900
Molecular FormulaC7H5F5N2O3
Molecular Weight260.12 g/mol
Exact Mass260.02
IUPAC Name5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)C(F)F)c(O)c1F
InChIInChI=1S/C7H5F5N2O3/c8-2-3(15)13-6(17)14(4(2)16)1-7(11,12)5(9)10/h5,16H,1H2,(H,13,15,17)
InChIKeyJMASZIQEIVOESY-UHFFFAOYSA-N
XLogP0.28
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)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

Related Compounds

6-Hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 91396181
5-Fluoro-6-hydroxy-1-propan-2-ylpyrimidine-2,4-dione
CID 112598782
6-Hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
CID 123818741
1-(2,2-Difluoroethyl)-5-fluoropyrimidine-2,4-dione
CID 175711908
5-fluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 24788040
5-Fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 83872925
5-fluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 101519906
6-chloro-5-fluoro-3-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
CID 104372457
5-Fluoro-6-hydroxy-1-(4,4,4-trifluorobutan-2-yl)pyrimidine-2,4-dione
CID 105926822
6-Hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 106290892
6-chloro-5-fluoro-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
CID 106291665
6-Amino-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 106293470

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione (CID 106290900) is 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(F)(F)C(F)F)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
The InChIKey is JMASZIQEIVOESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O3/c8-2-3(15)13-6(17)14(4(2)16)1-7(11,12)5(9)10/h5,16H,1H2,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione has a molecular weight of 260.12 g/mol, XLogP of 0.28, 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-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106290900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).