(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate

C11H12F2O6 — CID 90328369

IUPAC(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
SMILESC=C(COC(=O)C(C)(F)F)C(=O)OC1CCOC1=O
InChIInChI=1S/C11H12F2O6/c1-6(5-18-10(16)11(2,12)13)8(14)19-7-3-4-17-9(7)15/h7H,1,3-5H2,2H3
InChIKeyMGMGVXDRHJSXBZ-UHFFFAOYSA-N
MW278.21 g/mol
LogP0.60
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate

(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate (PubChem CID 90328369) has the molecular formula C11H12F2O6 and a molecular weight of 278.21 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
PubChem CID90328369
Molecular FormulaC11H12F2O6
Molecular Weight278.21 g/mol
Exact Mass278.06
IUPAC Name(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
SMILESC=C(COC(=O)C(C)(F)F)C(=O)OC1CCOC1=O
InChIInChI=1S/C11H12F2O6/c1-6(5-18-10(16)11(2,12)13)8(14)19-7-3-4-17-9(7)15/h7H,1,3-5H2,2H3
InChIKeyMGMGVXDRHJSXBZ-UHFFFAOYSA-N
XLogP0.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 50.60
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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Related Compounds

gamma-Butyrolactone methacrylate
CID 11206014
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-(2-methylprop-2-enoyloxy)propanedioate
CID 138741623
alpha-(2-Trifluoromethyl-2-propenoyloxy)-gamma-butyrolactone
CID 11183675
2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester
CID 11401011
(3-Methyl-2-oxooxolan-3-yl) 2-(trifluoromethyl)prop-2-enoate
CID 20612651
(5-Oxooxolan-3-yl) 2-(trifluoromethyl)prop-2-enoate
CID 20612653
(4-Fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21863743
(4-Fluoro-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21863792
[(3R)-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 45091129
[(3S)-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 45091130
[2-Oxo-2-(1,1,1-trifluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate
CID 58013560
(2-Oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate
CID 69477689

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate (CID 90328369) is (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate is C=C(COC(=O)C(C)(F)F)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
The InChIKey is MGMGVXDRHJSXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O6/c1-6(5-18-10(16)11(2,12)13)8(14)19-7-3-4-17-9(7)15/h7H,1,3-5H2,2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate?
(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate has a molecular weight of 278.21 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate is sourced from PubChem (CID 90328369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).