[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

C10H10F2O6 — CID 146555603

IUPAC[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CC(F)(F)OC1=O
InChIInChI=1S/C10H10F2O6/c1-5(2)8(14)16-4-7(13)17-6-3-10(11,12)18-9(6)15/h6H,1,3-4H2,2H3
InChIKeyMPDONRIHZBIGPP-UHFFFAOYSA-N
MW264.18 g/mol
LogP0.56
Rot. Bonds4

About [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 146555603) has the molecular formula C10H10F2O6 and a molecular weight of 264.18 g/mol. Its IUPAC name is [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID146555603
Molecular FormulaC10H10F2O6
Molecular Weight264.18 g/mol
Exact Mass264.04
IUPAC Name[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CC(F)(F)OC1=O
InChIInChI=1S/C10H10F2O6/c1-5(2)8(14)16-4-7(13)17-6-3-10(11,12)18-9(6)15/h6H,1,3-4H2,2H3
InChIKeyMPDONRIHZBIGPP-UHFFFAOYSA-N
XLogP0.56
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (CID 146555603) is [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC1CC(F)(F)OC1=O.
What is the InChIKey of [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is MPDONRIHZBIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O6/c1-5(2)8(14)16-4-7(13)17-6-3-10(11,12)18-9(6)15/h6H,1,3-4H2,2H3.
What are the key properties of [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
[2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 264.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,5-difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 146555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).