5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene

C16H14F16O — CID 89405518

IUPAC5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene
SMILESC=CCC(OC(CC=C)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H14F16O/c1-3-5-7(11(21,22)15(29,30)13(25,26)9(17)18)33-8(6-4-2)12(23,24)16(31,32)14(27,28)10(19)20/h3-4,7-10H,1-2,5-6H2
InChIKeyZMAWIVYREJKUQY-UHFFFAOYSA-N
MW526.26 g/mol
LogP7.23
Rot. Bonds14

About 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene

5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene (PubChem CID 89405518) has the molecular formula C16H14F16O and a molecular weight of 526.26 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene
PubChem CID89405518
Molecular FormulaC16H14F16O
Molecular Weight526.26 g/mol
Exact Mass526.08
IUPAC Name5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene
SMILESC=CCC(OC(CC=C)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H14F16O/c1-3-5-7(11(21,22)15(29,30)13(25,26)9(17)18)33-8(6-4-2)12(23,24)16(31,32)14(27,28)10(19)20/h3-4,7-10H,1-2,5-6H2
InChIKeyZMAWIVYREJKUQY-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.26
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene?
The IUPAC name of 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene (CID 89405518) is 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene is C=CCC(OC(CC=C)C(F)(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 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene?
The InChIKey is ZMAWIVYREJKUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F16O/c1-3-5-7(11(21,22)15(29,30)13(25,26)9(17)18)33-8(6-4-2)12(23,24)16(31,32)14(27,28)10(19)20/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene?
5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene has a molecular weight of 526.26 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8-octafluoro-4-(5,5,6,6,7,7,8,8-octafluorooct-1-en-4-yloxy)oct-1-ene is sourced from PubChem (CID 89405518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).