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

C11H17FO7 — CID 140810163

IUPACethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC(C)=O)COC(=O)OCF
InChIInChI=1S/C11H17FO7/c1-4-16-9(14)11(3,5-17-8(2)13)6-18-10(15)19-7-12/h4-7H2,1-3H3
InChIKeyHRPZTMLDANSJLC-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.20
Rot. Bonds7

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

ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate (PubChem CID 140810163) has the molecular formula C11H17FO7 and a molecular weight of 280.25 g/mol. Its IUPAC name is ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
PubChem CID140810163
Molecular FormulaC11H17FO7
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Nameethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC(C)=O)COC(=O)OCF
InChIInChI=1S/C11H17FO7/c1-4-16-9(14)11(3,5-17-8(2)13)6-18-10(15)19-7-12/h4-7H2,1-3H3
InChIKeyHRPZTMLDANSJLC-UHFFFAOYSA-N
XLogP1.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.20
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 ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The IUPAC name of ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate (CID 140810163) is ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate is CCOC(=O)C(C)(COC(C)=O)COC(=O)OCF.
What is the InChIKey of ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
The InChIKey is HRPZTMLDANSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO7/c1-4-16-9(14)11(3,5-17-8(2)13)6-18-10(15)19-7-12/h4-7H2,1-3H3.
What are the key properties of ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate?
ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate has a molecular weight of 280.25 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate is sourced from PubChem (CID 140810163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).