6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione

C16H15F3N2O3 — CID 171985245

IUPAC6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2c1CC(C)(C)O2
InChIInChI=1S/C16H15F3N2O3/c1-8-4-5-10(13-9(8)7-15(2,3)24-13)21-12(22)6-11(16(17,18)19)20-14(21)23/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyZUAGRCNGYLZGNJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.57
Rot. Bonds1

About 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione

6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione (PubChem CID 171985245) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione
PubChem CID171985245
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2c1CC(C)(C)O2
InChIInChI=1S/C16H15F3N2O3/c1-8-4-5-10(13-9(8)7-15(2,3)24-13)21-12(22)6-11(16(17,18)19)20-14(21)23/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyZUAGRCNGYLZGNJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione (CID 171985245) is 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c2c1CC(C)(C)O2.
What is the InChIKey of 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZUAGRCNGYLZGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-8-4-5-10(13-9(8)7-15(2,3)24-13)21-12(22)6-11(16(17,18)19)20-14(21)23/h4-6H,7H2,1-3H3,(H,20,23).
What are the key properties of 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione?
6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 340.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 171985245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).