3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene

C12H8F14O — CID 87882265

IUPAC3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(OC(=C)C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H8F14O/c1-3(5(13)9(19,20)11(23,24)7(15)16)27-4(2)6(14)10(21,22)12(25,26)8(17)18/h5-8H,1-2H2
InChIKeyZOJISEHJEJJDAG-UHFFFAOYSA-N
MW434.17 g/mol
LogP5.78
Rot. Bonds10

About 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene

3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene (PubChem CID 87882265) has the molecular formula C12H8F14O and a molecular weight of 434.17 g/mol. Its IUPAC name is 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene
PubChem CID87882265
Molecular FormulaC12H8F14O
Molecular Weight434.17 g/mol
Exact Mass434.04
IUPAC Name3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(OC(=C)C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H8F14O/c1-3(5(13)9(19,20)11(23,24)7(15)16)27-4(2)6(14)10(21,22)12(25,26)8(17)18/h5-8H,1-2H2
InChIKeyZOJISEHJEJJDAG-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.17
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene?
The IUPAC name of 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene (CID 87882265) is 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene.
What is the SMILES notation for 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene?
The canonical SMILES for 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene is C=C(OC(=C)C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene?
The InChIKey is ZOJISEHJEJJDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F14O/c1-3(5(13)9(19,20)11(23,24)7(15)16)27-4(2)6(14)10(21,22)12(25,26)8(17)18/h5-8H,1-2H2.
What are the key properties of 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene?
3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene has a molecular weight of 434.17 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6-heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene is sourced from PubChem (CID 87882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).