5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene

C12H19FN2O2 — CID 118491878

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
SMILESC=CCCCCCC.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C8H16.C4H3FN2O2/c1-3-5-7-8-6-4-2;5-2-1-6-4(9)7-3(2)8/h3H,1,4-8H2,2H3;1H,(H2,6,7,8,9)
InChIKeyCQRBIZUTYGRRMP-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.35
Rot. Bonds5

About 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene

5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene (PubChem CID 118491878) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
PubChem CID118491878
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
SMILESC=CCCCCCC.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C8H16.C4H3FN2O2/c1-3-5-7-8-6-4-2;5-2-1-6-4(9)7-3(2)8/h3H,1,4-8H2,2H3;1H,(H2,6,7,8,9)
InChIKeyCQRBIZUTYGRRMP-UHFFFAOYSA-N
XLogP2.35
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
furan-2,5-dione;hexadec-1-ene
CID 87102971
furan-2,5-dione;oct-1-ene
CID 86738184

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene (CID 118491878) is 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene is C=CCCCCCC.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene?
The InChIKey is CQRBIZUTYGRRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H3FN2O2/c1-3-5-7-8-6-4-2;5-2-1-6-4(9)7-3(2)8/h3H,1,4-8H2,2H3;1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene?
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene has a molecular weight of 242.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene is sourced from PubChem (CID 118491878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).