(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate

C17H27FN2O4 — CID 13014281

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C17H27FN2O4/c1-2-3-4-5-6-7-8-9-10-11-15(21)24-13-20-12-14(18)16(22)19-17(20)23/h12H,2-11,13H2,1H3,(H,19,22,23)
InChIKeyUSKFDHVYOWSIBC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.10
Rot. Bonds12

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate (PubChem CID 13014281) has the molecular formula C17H27FN2O4 and a molecular weight of 342.41 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate
PubChem CID13014281
Molecular FormulaC17H27FN2O4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C17H27FN2O4/c1-2-3-4-5-6-7-8-9-10-11-15(21)24-13-20-12-14(18)16(22)19-17(20)23/h12H,2-11,13H2,1H3,(H,19,22,23)
InChIKeyUSKFDHVYOWSIBC-UHFFFAOYSA-N
XLogP3.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate (CID 13014281) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate is CCCCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate?
The InChIKey is USKFDHVYOWSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O4/c1-2-3-4-5-6-7-8-9-10-11-15(21)24-13-20-12-14(18)16(22)19-17(20)23/h12H,2-11,13H2,1H3,(H,19,22,23).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate has a molecular weight of 342.41 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl dodecanoate is sourced from PubChem (CID 13014281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).