[2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

C22F32O6 — CID 87584143

About [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

[2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (PubChem CID 87584143) has the molecular formula C22F32O6 and a molecular weight of 968.17 g/mol. Its IUPAC name is [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
• PubChem CID: 87584143
• Molecular Formula: C22F32O6
• Molecular Weight: 968.17 g/mol
• Exact Mass: 967.92
• IUPAC Name: [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
• SMILES: O=C(OC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(=C(F)F)C(F)(F)F)(C3(F)F)C2(F)F)C(=C(F)F)C(F)(F)F
• InChI: InChI=1S/C22F32O6/c23-3(24)1(7(27,28)29)5(55)57-19(47,48)21(51,52)59-11-14(37,38)9(33)13(35,36)10(34,15(11,39)40)17(43,44)12(16(9,41)42,18(11,45)46)60-22(53,54)20(49,50)58-6(56)2(4(25)26)8(30,31)32
• InChIKey: SYEJGWUCGGLMGR-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.17
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?

The IUPAC name of [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate (CID 87584143) is [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate.

What is the SMILES notation for [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?

The canonical SMILES for [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is O=C(OC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(=C(F)F)C(F)(F)F)(C3(F)F)C2(F)F)C(=C(F)F)C(F)(F)F.

What is the InChIKey of [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?

The InChIKey is SYEJGWUCGGLMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22F32O6/c23-3(24)1(7(27,28)29)5(55)57-19(47,48)21(51,52)59-11-14(37,38)9(33)13(35,36)10(34,15(11,39)40)17(43,44)12(16(9,41)42,18(11,45)46)60-22(53,54)20(49,50)58-6(56)2(4(25)26)8(30,31)32.

What are the key properties of [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate?

[2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 968.17 g/mol, XLogP of 9.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3-[2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enoyl]oxy-1,1,2,2-tetrafluoroethoxy]-2,2,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-1-adamantyl]oxy]-1,1,2,2-tetrafluoroethyl] 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 87584143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).