6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C7H2F8N2O2 — CID 15580793

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)(F)C(F)(F)F)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H2F8N2O2/c8-5(9,7(13,14)15)2-1(6(10,11)12)3(18)17-4(19)16-2/h(H2,16,17,18,19)
InChIKeyXBYJAQMBURCZNR-UHFFFAOYSA-N
MW298.09 g/mol
LogP1.74
Rot. Bonds1

About 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione

6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15580793) has the molecular formula C7H2F8N2O2 and a molecular weight of 298.09 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID15580793
Molecular FormulaC7H2F8N2O2
Molecular Weight298.09 g/mol
Exact Mass298.00
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)(F)C(F)(F)F)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H2F8N2O2/c8-5(9,7(13,14)15)2-1(6(10,11)12)3(18)17-4(19)16-2/h(H2,16,17,18,19)
InChIKeyXBYJAQMBURCZNR-UHFFFAOYSA-N
XLogP1.74
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-Bis(trifluoromethyl)uracil
CID 57693359
6-(1,1-difluoroethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 129278642
5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153696465
5-Fluoro-6-(pentafluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 233898
5-[chloro(difluoro)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 150691101
5-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 152264438
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 152570293

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 15580793) is 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C(F)(F)C(F)(F)F)c(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XBYJAQMBURCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F8N2O2/c8-5(9,7(13,14)15)2-1(6(10,11)12)3(18)17-4(19)16-2/h(H2,16,17,18,19).
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 298.09 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15580793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).