5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

C6H5F3N2O2 — CID 15276929

IUPAC5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-10-5(13)11-4(3)12/h2H,1H2,(H2,10,11,12,13)
InChIKeyXYWQPAQYLFWFGA-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.17
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15276929) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID15276929
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-10-5(13)11-4(3)12/h2H,1H2,(H2,10,11,12,13)
InChIKeyXYWQPAQYLFWFGA-UHFFFAOYSA-N
XLogP0.17
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 15276929) is 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XYWQPAQYLFWFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)1-3-2-10-5(13)11-4(3)12/h2H,1H2,(H2,10,11,12,13).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 194.11 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15276929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).