6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C8H6F6N2O3 — CID 59482200

IUPAC6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)F)c(=O)n1CC(F)(F)F
InChIInChI=1S/C8H6F6N2O3/c9-7(10,11)2-15-4(17)1-5(18)16(6(15)19)3-8(12,13)14/h1,17H,2-3H2
InChIKeyJDBWESRWUOIJHM-UHFFFAOYSA-N
MW292.14 g/mol
LogP0.84
Rot. Bonds2

About 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 59482200) has the molecular formula C8H6F6N2O3 and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID59482200
Molecular FormulaC8H6F6N2O3
Molecular Weight292.14 g/mol
Exact Mass292.03
IUPAC Name6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1cc(O)n(CC(F)(F)F)c(=O)n1CC(F)(F)F
InChIInChI=1S/C8H6F6N2O3/c9-7(10,11)2-15-4(17)1-5(18)16(6(15)19)3-8(12,13)14/h1,17H,2-3H2
InChIKeyJDBWESRWUOIJHM-UHFFFAOYSA-N
XLogP0.84
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Diethyl-6-hydroxypyrimidine-2,4-dione
CID 14496865
3-Ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 90819372
3-Ethyl-6-hydroxy-2-sulfanylidene-1-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 91124879
6-Hydroxy-1,3-bis(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 91396181
6-Hydroxy-1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)pyrimidine-2,4-dione
CID 123818741
5-Fluoro-1,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-hydroxypyrimidine-2,4-dione
CID 123911770
6-Hydroxy-1-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-dione
CID 106290892
5-Fluoro-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 112599020
6-Hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 133675925
1,3-Bis(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 168490288
3-Ethyl-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 53775537
6-Hydroxy-1-methyl-3-propylpyrimidine-2,4-dione
CID 54123428

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 59482200) is 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is O=c1cc(O)n(CC(F)(F)F)c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is JDBWESRWUOIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O3/c9-7(10,11)2-15-4(17)1-5(18)16(6(15)19)3-8(12,13)14/h1,17H,2-3H2.
What are the key properties of 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 292.14 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-bis(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 59482200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).