1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene

C12F22O — CID 139915020

IUPAC1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene
SMILESFC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22O/c13-1(5(17,18)9(23,24)25)3(15)7(21,11(29,30)31)35-8(22,12(32,33)34)4(16)2(14)6(19,20)10(26,27)28
InChIKeyIIXAXYYRXFKECD-UHFFFAOYSA-N
MW578.09 g/mol
LogP8.16
Rot. Bonds6

About 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene

1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene (PubChem CID 139915020) has the molecular formula C12F22O and a molecular weight of 578.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene
PubChem CID139915020
Molecular FormulaC12F22O
Molecular Weight578.09 g/mol
Exact Mass577.96
IUPAC Name1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene
SMILESFC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22O/c13-1(5(17,18)9(23,24)25)3(15)7(21,11(29,30)31)35-8(22,12(32,33)34)4(16)2(14)6(19,20)10(26,27)28
InChIKeyIIXAXYYRXFKECD-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.09
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene?
The IUPAC name of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene (CID 139915020) is 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene.
What is the SMILES notation for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene?
The canonical SMILES for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene is FC(=C(F)C(F)(OC(F)(C(F)=C(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene?
The InChIKey is IIXAXYYRXFKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22O/c13-1(5(17,18)9(23,24)25)3(15)7(21,11(29,30)31)35-8(22,12(32,33)34)4(16)2(14)6(19,20)10(26,27)28.
What are the key properties of 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene?
1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene has a molecular weight of 578.09 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,6,6,6-undecafluoro-5-(1,1,1,2,3,4,5,5,6,6,6-undecafluorohex-3-en-2-yloxy)hex-3-ene is sourced from PubChem (CID 139915020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).