3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene

C12H6F16O — CID 57113820

IUPAC3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C=COC=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H6F16O/c13-5(14)9(21,22)11(25,26)7(17,18)1-3-29-4-2-8(19,20)12(27,28)10(23,24)6(15)16/h1-6H
InChIKeyKBKYXRIBRCRHAY-UHFFFAOYSA-N
MW470.15 g/mol
LogP6.37
Rot. Bonds10

About 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene

3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene (PubChem CID 57113820) has the molecular formula C12H6F16O and a molecular weight of 470.15 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene
PubChem CID57113820
Molecular FormulaC12H6F16O
Molecular Weight470.15 g/mol
Exact Mass470.02
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C=COC=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H6F16O/c13-5(14)9(21,22)11(25,26)7(17,18)1-3-29-4-2-8(19,20)12(27,28)10(23,24)6(15)16/h1-6H
InChIKeyKBKYXRIBRCRHAY-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.15
LogP ≤ 56.37
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 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene (CID 57113820) is 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene is FC(F)C(F)(F)C(F)(F)C(F)(F)C=COC=CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene?
The InChIKey is KBKYXRIBRCRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F16O/c13-5(14)9(21,22)11(25,26)7(17,18)1-3-29-4-2-8(19,20)12(27,28)10(23,24)6(15)16/h1-6H.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene?
3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene has a molecular weight of 470.15 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-1-(3,3,4,4,5,5,6,6-octafluorohex-1-enoxy)hex-1-ene is sourced from PubChem (CID 57113820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).