[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate

C25F34O9 — CID 87584082

IUPAC[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate
SMILESO=C(OC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C3(F)F)C2(F)F)C(F)=C(F)F
InChIInChI=1S/C25F34O9/c26-1(4(29)30)7(60)63-20(48,49)23(54,55)66-11-14(36,37)10(35)15(38,39)12(17(11,42)43,67-24(56,57)21(50,51)64-8(61)2(27)5(31)32)19(46,47)13(16(10,40)41,18(11,44)45)68-25(58,59)22(52,53)65-9(62)3(28)6(33)34
InChIKeyZXENZWUSMDKWLX-UHFFFAOYSA-N
MW1090.20 g/mol
LogP10.23
Rot. Bonds15

About [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate

[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate (PubChem CID 87584082) has the molecular formula C25F34O9 and a molecular weight of 1090.20 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate
PubChem CID87584082
Molecular FormulaC25F34O9
Molecular Weight1090.20 g/mol
Exact Mass1089.90
IUPAC Name[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate
SMILESO=C(OC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C3(F)F)C2(F)F)C(F)=C(F)F
InChIInChI=1S/C25F34O9/c26-1(4(29)30)7(60)63-20(48,49)23(54,55)66-11-14(36,37)10(35)15(38,39)12(17(11,42)43,67-24(56,57)21(50,51)64-8(61)2(27)5(31)32)19(46,47)13(16(10,40)41,18(11,44)45)68-25(58,59)22(52,53)65-9(62)3(28)6(33)34
InChIKeyZXENZWUSMDKWLX-UHFFFAOYSA-N
XLogP10.23
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.20
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate?
The IUPAC name of [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate (CID 87584082) is [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate is O=C(OC(F)(F)C(F)(F)OC12C(F)(F)C3(F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C1(F)F)C(F)(F)C(OC(F)(F)C(F)(F)OC(=O)C(F)=C(F)F)(C3(F)F)C2(F)F)C(F)=C(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate?
The InChIKey is ZXENZWUSMDKWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25F34O9/c26-1(4(29)30)7(60)63-20(48,49)23(54,55)66-11-14(36,37)10(35)15(38,39)12(17(11,42)43,67-24(56,57)21(50,51)64-8(61)2(27)5(31)32)19(46,47)13(16(10,40)41,18(11,44)45)68-25(58,59)22(52,53)65-9(62)3(28)6(33)34.
What are the key properties of [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate?
[1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate has a molecular weight of 1090.20 g/mol, XLogP of 10.23, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-[[2,2,3,4,4,6,6,8,8,9,9,10,10-tridecafluoro-5,7-bis[1,1,2,2-tetrafluoro-2-(2,3,3-trifluoroprop-2-enoyloxy)ethoxy]-1-adamantyl]oxy]ethyl] 2,3,3-trifluoroprop-2-enoate is sourced from PubChem (CID 87584082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).