1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane

C22H8F34O3 — CID 78411284

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)OC=COC=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C22H8F34O3/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)58-3-1-57-2-4-59-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h1-8H
InChIKeyOAHLZPDNOHHVES-UHFFFAOYSA-N
MW966.23 g/mol
LogP11.99
Rot. Bonds22

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane (PubChem CID 78411284) has the molecular formula C22H8F34O3 and a molecular weight of 966.23 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
PubChem CID78411284
Molecular FormulaC22H8F34O3
Molecular Weight966.23 g/mol
Exact Mass965.99
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)OC=COC=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C22H8F34O3/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)58-3-1-57-2-4-59-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h1-8H
InChIKeyOAHLZPDNOHHVES-UHFFFAOYSA-N
XLogP11.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.23
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane (CID 78411284) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)OC=COC=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane?
The InChIKey is OAHLZPDNOHHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F34O3/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)58-3-1-57-2-4-59-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h1-8H.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane has a molecular weight of 966.23 g/mol, XLogP of 11.99, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane is sourced from PubChem (CID 78411284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).