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

C8H4F8N2O3 — CID 123818741

IUPAC6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1C(F)(F)F
InChIInChI=1S/C8H4F8N2O3/c9-6(10,7(11,12)13)2-17-3(19)1-4(20)18(5(17)21)8(14,15)16/h1,19H,2H2
InChIKeyVDHUIIGWWQVFHD-UHFFFAOYSA-N
MW328.12 g/mol
LogP1.39
Rot. Bonds2

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

6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 123818741) has the molecular formula C8H4F8N2O3 and a molecular weight of 328.12 g/mol. Its IUPAC name is 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID123818741
Molecular FormulaC8H4F8N2O3
Molecular Weight328.12 g/mol
Exact Mass328.01
IUPAC Name6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1C(F)(F)F
InChIInChI=1S/C8H4F8N2O3/c9-6(10,7(11,12)13)2-17-3(19)1-4(20)18(5(17)21)8(14,15)16/h1,19H,2H2
InChIKeyVDHUIIGWWQVFHD-UHFFFAOYSA-N
XLogP1.39
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione (CID 123818741) is 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione is O=c1cc(O)n(CC(F)(F)C(F)(F)F)c(=O)n1C(F)(F)F.
What is the InChIKey of 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is VDHUIIGWWQVFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F8N2O3/c9-6(10,7(11,12)13)2-17-3(19)1-4(20)18(5(17)21)8(14,15)16/h1,19H,2H2.
What are the key properties of 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione?
6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 328.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123818741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).