[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite

C15F26O3 — CID 87699187

IUPAC[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite
SMILESFOC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C15F26O3/c16-1-5(11(30,31)32,42-12(33,34)13(35,36)43-14(37,38)15(39,40)44-41)2(17)8(24,25)3(18,6(1,20)21)10(28,29)4(19,7(1,22)23)9(2,26)27
InChIKeyRKZRNLZTHVPKJE-UHFFFAOYSA-N
MW722.11 g/mol
LogP7.64
Rot. Bonds7

About [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite

[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite (PubChem CID 87699187) has the molecular formula C15F26O3 and a molecular weight of 722.11 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite
PubChem CID87699187
Molecular FormulaC15F26O3
Molecular Weight722.11 g/mol
Exact Mass721.94
IUPAC Name[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite
SMILESFOC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F
InChIInChI=1S/C15F26O3/c16-1-5(11(30,31)32,42-12(33,34)13(35,36)43-14(37,38)15(39,40)44-41)2(17)8(24,25)3(18,6(1,20)21)10(28,29)4(19,7(1,22)23)9(2,26)27
InChIKeyRKZRNLZTHVPKJE-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.11
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite?
The IUPAC name of [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite (CID 87699187) is [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite is FOC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(C(F)(F)F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite?
The InChIKey is RKZRNLZTHVPKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F26O3/c16-1-5(11(30,31)32,42-12(33,34)13(35,36)43-14(37,38)15(39,40)44-41)2(17)8(24,25)3(18,6(1,20)21)10(28,29)4(19,7(1,22)23)9(2,26)27.
What are the key properties of [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite?
[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite has a molecular weight of 722.11 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,3,4,4,5,6,6,7,8,8,9,9,10,10-tetradecafluoro-2-(trifluoromethyl)-2-adamantyl]oxy]ethoxy]ethyl] hypofluorite is sourced from PubChem (CID 87699187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).