6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid

C11H13FN2O6 — CID 10732070

IUPAC6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O6/c12-7-5-14(11(19)13-10(7)18)6-20-9(17)4-2-1-3-8(15)16/h5H,1-4,6H2,(H,15,16)(H,13,18,19)
InChIKeyWRFZOBHAZYVZRF-UHFFFAOYSA-N
MW288.23 g/mol
LogP-0.18
Rot. Bonds7

About 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid

6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid (PubChem CID 10732070) has the molecular formula C11H13FN2O6 and a molecular weight of 288.23 g/mol. Its IUPAC name is 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid
PubChem CID10732070
Molecular FormulaC11H13FN2O6
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O6/c12-7-5-14(11(19)13-10(7)18)6-20-9(17)4-2-1-3-8(15)16/h5H,1-4,6H2,(H,15,16)(H,13,18,19)
InChIKeyWRFZOBHAZYVZRF-UHFFFAOYSA-N
XLogP-0.18
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid?
The IUPAC name of 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid (CID 10732070) is 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid?
The canonical SMILES for 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid is O=C(O)CCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid?
The InChIKey is WRFZOBHAZYVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O6/c12-7-5-14(11(19)13-10(7)18)6-20-9(17)4-2-1-3-8(15)16/h5H,1-4,6H2,(H,15,16)(H,13,18,19).
What are the key properties of 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid?
6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid has a molecular weight of 288.23 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid is sourced from PubChem (CID 10732070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).