3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione

C8H7FN2O2 — CID 126697175

IUPAC3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)n(C=C)c(=O)c1F
InChIInChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13)
InChIKeyXFNBWYDXRLHFLA-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.42
Rot. Bonds2

About 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione

3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 126697175) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID126697175
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)n(C=C)c(=O)c1F
InChIInChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13)
InChIKeyXFNBWYDXRLHFLA-UHFFFAOYSA-N
XLogP0.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 126697175) is 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione is C=Cc1[nH]c(=O)n(C=C)c(=O)c1F.
What is the InChIKey of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is XFNBWYDXRLHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13).
What are the key properties of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 182.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126697175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).