[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate

C11H13FN2O5 — CID 175677163

IUPAC[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CF
InChIInChI=1S/C11H13FN2O5/c1-6(15)18-7-4-10(19-8(7)5-12)14-3-2-9(16)13-11(14)17/h2-3,7-8,10H,4-5H2,1H3,(H,13,16,17)/t7-,8+,10+/m0/s1
InChIKeyWMZQLVKELMZEBP-QXFUBDJGSA-N
MW272.23 g/mol
LogP-0.27
Rot. Bonds3

About [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate

[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate (PubChem CID 175677163) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate
PubChem CID175677163
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CF
InChIInChI=1S/C11H13FN2O5/c1-6(15)18-7-4-10(19-8(7)5-12)14-3-2-9(16)13-11(14)17/h2-3,7-8,10H,4-5H2,1H3,(H,13,16,17)/t7-,8+,10+/m0/s1
InChIKeyWMZQLVKELMZEBP-QXFUBDJGSA-N
XLogP-0.27
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate (CID 175677163) is [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate is CC(=O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CF.
What is the InChIKey of [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate?
The InChIKey is WMZQLVKELMZEBP-QXFUBDJGSA-N. The full InChI is InChI=1S/C11H13FN2O5/c1-6(15)18-7-4-10(19-8(7)5-12)14-3-2-9(16)13-11(14)17/h2-3,7-8,10H,4-5H2,1H3,(H,13,16,17)/t7-,8+,10+/m0/s1.
What are the key properties of [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate?
[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate has a molecular weight of 272.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 175677163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).