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

C15H23FN2O4 — CID 10448348

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN2O4/c1-2-3-4-5-6-7-8-9-13(19)22-11-18-10-12(16)14(20)17-15(18)21/h10H,2-9,11H2,1H3,(H,17,20,21)
InChIKeyMKZBNDVOICPICV-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.32
Rot. Bonds10

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate (PubChem CID 10448348) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate
PubChem CID10448348
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN2O4/c1-2-3-4-5-6-7-8-9-13(19)22-11-18-10-12(16)14(20)17-15(18)21/h10H,2-9,11H2,1H3,(H,17,20,21)
InChIKeyMKZBNDVOICPICV-UHFFFAOYSA-N
XLogP2.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.32
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 decanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate (CID 10448348) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate is CCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate?
The InChIKey is MKZBNDVOICPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-2-3-4-5-6-7-8-9-13(19)22-11-18-10-12(16)14(20)17-15(18)21/h10H,2-9,11H2,1H3,(H,17,20,21).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate has a molecular weight of 314.36 g/mol, XLogP of 2.32, 10 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 decanoate is sourced from PubChem (CID 10448348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).