1-(1-fluoroethenyl)pyrimidine-2,4-dione

C6H5FN2O2 — CID 67743513

IUPAC1-(1-fluoroethenyl)pyrimidine-2,4-dione
SMILESC=C(F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O2/c1-4(7)9-3-2-5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11)
InChIKeyAKAPYEYHTOJWJJ-UHFFFAOYSA-N
MW156.12 g/mol
LogP-0.07
Rot. Bonds1

About 1-(1-fluoroethenyl)pyrimidine-2,4-dione

1-(1-fluoroethenyl)pyrimidine-2,4-dione (PubChem CID 67743513) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 1-(1-fluoroethenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-fluoroethenyl)pyrimidine-2,4-dione
PubChem CID67743513
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name1-(1-fluoroethenyl)pyrimidine-2,4-dione
SMILESC=C(F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O2/c1-4(7)9-3-2-5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11)
InChIKeyAKAPYEYHTOJWJJ-UHFFFAOYSA-N
XLogP-0.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-fluoroethenyl)pyrimidine-2,4-dione (CID 67743513) is 1-(1-fluoroethenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-fluoroethenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-fluoroethenyl)pyrimidine-2,4-dione is C=C(F)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-fluoroethenyl)pyrimidine-2,4-dione?
The InChIKey is AKAPYEYHTOJWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c1-4(7)9-3-2-5(10)8-6(9)11/h2-3H,1H2,(H,8,10,11).
What are the key properties of 1-(1-fluoroethenyl)pyrimidine-2,4-dione?
1-(1-fluoroethenyl)pyrimidine-2,4-dione has a molecular weight of 156.12 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 67743513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).