[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate

C15H16F10O7 — CID 58536590

IUPAC[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)COC(=O)C(C)C
InChIInChI=1S/C15H16F10O7/c1-7(2)9(26)28-5-11(16,17)30-13(20,21)14(22,23)32-15(24,25)31-12(18,19)6-29-10(27)8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyHLKKNEXEWZDDKA-UHFFFAOYSA-N
MW498.27 g/mol
LogP4.28
Rot. Bonds13

About [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate

[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate (PubChem CID 58536590) has the molecular formula C15H16F10O7 and a molecular weight of 498.27 g/mol. Its IUPAC name is [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
PubChem CID58536590
Molecular FormulaC15H16F10O7
Molecular Weight498.27 g/mol
Exact Mass498.07
IUPAC Name[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)COC(=O)C(C)C
InChIInChI=1S/C15H16F10O7/c1-7(2)9(26)28-5-11(16,17)30-13(20,21)14(22,23)32-15(24,25)31-12(18,19)6-29-10(27)8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyHLKKNEXEWZDDKA-UHFFFAOYSA-N
XLogP4.28
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate with MolForge

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Related Compounds

[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
CID 58536587
CID 58536587
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 161443281
[2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)ethyl] 2-methylprop-2-enoate;1,2,4-tris(1,1-difluoroethyl)-5-ethyl-1,2,3,3,4,5,6,6-octafluorocyclohexane
CID 91422677
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
CID 122438608
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 88566374
2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 89368142
(6,6,6-trifluoro-2-hydroxy-2,5-dimethylhexyl) 2-methylprop-2-enoate
CID 175062743

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate?
The IUPAC name of [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate (CID 58536590) is [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate?
The canonical SMILES for [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate is C=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)COC(=O)C(C)C.
What is the InChIKey of [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate?
The InChIKey is HLKKNEXEWZDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F10O7/c1-7(2)9(26)28-5-11(16,17)30-13(20,21)14(22,23)32-15(24,25)31-12(18,19)6-29-10(27)8(3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate?
[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate has a molecular weight of 498.27 g/mol, XLogP of 4.28, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate is sourced from PubChem (CID 58536590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).