methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate

C10H15FO7 — CID 130438620

IUPACmethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(COC(C)=O)COC(=O)OCF
InChIInChI=1S/C10H15FO7/c1-7(12)16-4-10(2,8(13)15-3)5-17-9(14)18-6-11/h4-6H2,1-3H3
InChIKeyUICUIAICJQCWBI-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.81
Rot. Bonds6

About methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate

methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate (PubChem CID 130438620) has the molecular formula C10H15FO7 and a molecular weight of 266.22 g/mol. Its IUPAC name is methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
PubChem CID130438620
Molecular FormulaC10H15FO7
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Namemethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(COC(C)=O)COC(=O)OCF
InChIInChI=1S/C10H15FO7/c1-7(12)16-4-10(2,8(13)15-3)5-17-9(14)18-6-11/h4-6H2,1-3H3
InChIKeyUICUIAICJQCWBI-UHFFFAOYSA-N
XLogP0.81
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The IUPAC name of methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate (CID 130438620) is methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate is COC(=O)C(C)(COC(C)=O)COC(=O)OCF.
What is the InChIKey of methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The InChIKey is UICUIAICJQCWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO7/c1-7(12)16-4-10(2,8(13)15-3)5-17-9(14)18-6-11/h4-6H2,1-3H3.
What are the key properties of methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate has a molecular weight of 266.22 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate is sourced from PubChem (CID 130438620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).