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

C9H8F4N2O3 — CID 106291271

IUPAC5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C9H8F4N2O3/c1-4(16)5-2-14-8(18)15(6(5)17)3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,14,18)
InChIKeyJRVNKGRPEDHFEW-UHFFFAOYSA-N
MW268.17 g/mol
LogP0.64
Rot. Bonds4

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

5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (PubChem CID 106291271) has the molecular formula C9H8F4N2O3 and a molecular weight of 268.17 g/mol. Its IUPAC name is 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
PubChem CID106291271
Molecular FormulaC9H8F4N2O3
Molecular Weight268.17 g/mol
Exact Mass268.05
IUPAC Name5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C9H8F4N2O3/c1-4(16)5-2-14-8(18)15(6(5)17)3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,14,18)
InChIKeyJRVNKGRPEDHFEW-UHFFFAOYSA-N
XLogP0.64
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (CID 106291271) is 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC(F)(F)C(F)F)c1=O.
What is the InChIKey of 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JRVNKGRPEDHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3/c1-4(16)5-2-14-8(18)15(6(5)17)3-9(12,13)7(10)11/h2,7H,3H2,1H3,(H,14,18).
What are the key properties of 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 268.17 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 106291271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).