[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

C13H10F14O5 — CID 161443281

IUPAC[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
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC
InChIInChI=1S/C13H10F14O5/c1-5(2)6(28)30-4-7(14,15)9(18,19)31-10(20,21)8(16,17)11(22,23)32-13(26,27)12(24,25)29-3/h1,4H2,2-3H3
InChIKeyTUOSEURYPPVKJC-UHFFFAOYSA-N
MW512.19 g/mol
LogP5.02
Rot. Bonds12

About [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

[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 (PubChem CID 161443281) has the molecular formula C13H10F14O5 and a molecular weight of 512.19 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161443281
Molecular FormulaC13H10F14O5
Molecular Weight512.19 g/mol
Exact Mass512.03
IUPAC Name[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
SMILESC=C(C)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC
InChIInChI=1S/C13H10F14O5/c1-5(2)6(28)30-4-7(14,15)9(18,19)31-10(20,21)8(16,17)11(22,23)32-13(26,27)12(24,25)29-3/h1,4H2,2-3H3
InChIKeyTUOSEURYPPVKJC-UHFFFAOYSA-N
XLogP5.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.19
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentoxy]ethanesulfonic acid
CID 59482609
[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
[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-[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-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
CID 166849986
[3,3,4,4,5,6,6,6-octafluoro-2-hydroxy-2-methyl-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
CID 87146200
methyl 2-methylprop-2-enoate;1-O-methyl 6-O-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) 2,2,5,5-tetramethylhexanedioate;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
CID 158794120
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC.
What is the InChIKey of [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?
The InChIKey is TUOSEURYPPVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F14O5/c1-5(2)6(28)30-4-7(14,15)9(18,19)31-10(20,21)8(16,17)11(22,23)32-13(26,27)12(24,25)29-3/h1,4H2,2-3H3.
What are the key properties of [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?
[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 has a molecular weight of 512.19 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161443281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).