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

C6H5F3N2O2 — CID 19099900

IUPAC5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-3(4(8)9)2-1-10-6(13)11-5(2)12/h1,3-4H,(H2,10,11,12,13)
InChIKeyOAQOEWKAMGTKNX-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.34
Rot. Bonds2

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

5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 19099900) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID19099900
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-3(4(8)9)2-1-10-6(13)11-5(2)12/h1,3-4H,(H2,10,11,12,13)
InChIKeyOAQOEWKAMGTKNX-UHFFFAOYSA-N
XLogP0.34
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 19099900) is 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(F)C(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OAQOEWKAMGTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-3(4(8)9)2-1-10-6(13)11-5(2)12/h1,3-4H,(H2,10,11,12,13).
What are the key properties of 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 194.11 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19099900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).