5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione

C10H11F3N2O3 — CID 115523016

IUPAC5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O3/c1-6(16)7-5-14-9(18)15(8(7)17)4-2-3-10(11,12)13/h5H,2-4H2,1H3,(H,14,18)
InChIKeyFGPIBYIBXJFXJC-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.08
Rot. Bonds4

About 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione (PubChem CID 115523016) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione
PubChem CID115523016
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O3/c1-6(16)7-5-14-9(18)15(8(7)17)4-2-3-10(11,12)13/h5H,2-4H2,1H3,(H,14,18)
InChIKeyFGPIBYIBXJFXJC-UHFFFAOYSA-N
XLogP1.08
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione (CID 115523016) is 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CCCC(F)(F)F)c1=O.
What is the InChIKey of 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FGPIBYIBXJFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-6(16)7-5-14-9(18)15(8(7)17)4-2-3-10(11,12)13/h5H,2-4H2,1H3,(H,14,18).
What are the key properties of 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 264.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 115523016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).