[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

C23H24F20O4 — CID 91422677

IUPAC[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
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC.CCC1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(C)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C14H14F14.C9H10F6O4/c1-5-9(21)10(22,6(2,15)16)14(27,28)12(24,8(4,19)20)11(23,7(3,17)18)13(9,25)26;1-5(2)6(16)18-4-7(10,11)19-9(14,15)8(12,13)17-3/h5H2,1-4H3;1,4H2,2-3H3
InChIKeyBERZYAIXWVYMMF-UHFFFAOYSA-N
MW744.40 g/mol
LogP9.03
Rot. Bonds11

About [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

[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 (PubChem CID 91422677) has the molecular formula C23H24F20O4 and a molecular weight of 744.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID91422677
Molecular FormulaC23H24F20O4
Molecular Weight744.40 g/mol
Exact Mass744.14
IUPAC Name[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
SMILESC=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC.CCC1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(C)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C14H14F14.C9H10F6O4/c1-5-9(21)10(22,6(2,15)16)14(27,28)12(24,8(4,19)20)11(23,7(3,17)18)13(9,25)26;1-5(2)6(16)18-4-7(10,11)19-9(14,15)8(12,13)17-3/h5H2,1-4H3;1,4H2,2-3H3
InChIKeyBERZYAIXWVYMMF-UHFFFAOYSA-N
XLogP9.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.40
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[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-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
CID 58536590
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[2-[(2S)-2-[(1S)-1,2-difluoro-1-[1-fluoro-2-(2-methylprop-2-enoyloxy)-1-phosphanylethoxy]-1-phosphanylpropan-2-yl]oxy-1,1,2-trifluoropropoxy]-2-fluoro-2-phosphanylethyl] 2-methylprop-2-enoate
CID 138628594
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
CID 122438608
2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 89368142
[3,3,4,4,5,6,6,6-octafluoro-2-hydroxy-2-methyl-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
CID 87146200
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC.CCC1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(C)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of [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?
The InChIKey is BERZYAIXWVYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F14.C9H10F6O4/c1-5-9(21)10(22,6(2,15)16)14(27,28)12(24,8(4,19)20)11(23,7(3,17)18)13(9,25)26;1-5(2)6(16)18-4-7(10,11)19-9(14,15)8(12,13)17-3/h5H2,1-4H3;1,4H2,2-3H3.
What are the key properties of [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?
[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 has a molecular weight of 744.40 g/mol, XLogP of 9.03, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 91422677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).