4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene

C12H10F12O — CID 87940548

IUPAC4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F12O/c1-5(3-9(17,18)11(21,22)7(13)14)25-6(2)4-10(19,20)12(23,24)8(15)16/h7-8H,1-4H2
InChIKeyBNSDGJDVHYNUIU-UHFFFAOYSA-N
MW398.19 g/mol
LogP5.88
Rot. Bonds10

About 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene

4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene (PubChem CID 87940548) has the molecular formula C12H10F12O and a molecular weight of 398.19 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene
PubChem CID87940548
Molecular FormulaC12H10F12O
Molecular Weight398.19 g/mol
Exact Mass398.05
IUPAC Name4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(CC(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F12O/c1-5(3-9(17,18)11(21,22)7(13)14)25-6(2)4-10(19,20)12(23,24)8(15)16/h7-8H,1-4H2
InChIKeyBNSDGJDVHYNUIU-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.19
LogP ≤ 55.88
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 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene (CID 87940548) is 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene is C=C(CC(F)(F)C(F)(F)C(F)F)OC(=C)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene?
The InChIKey is BNSDGJDVHYNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12O/c1-5(3-9(17,18)11(21,22)7(13)14)25-6(2)4-10(19,20)12(23,24)8(15)16/h7-8H,1-4H2.
What are the key properties of 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene?
4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene has a molecular weight of 398.19 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene is sourced from PubChem (CID 87940548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).