4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene

C8Br2F12O — CID 56632525

IUPAC4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(OC(=C(F)F)C(F)(F)C(F)(F)Br)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8Br2F12O/c9-7(19,20)5(15,16)1(3(11)12)23-2(4(13)14)6(17,18)8(10,21)22
InChIKeyZCFOEBGWQMZLFE-UHFFFAOYSA-N
MW499.87 g/mol
LogP6.47
Rot. Bonds6

About 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene

4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene (PubChem CID 56632525) has the molecular formula C8Br2F12O and a molecular weight of 499.87 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene
PubChem CID56632525
Molecular FormulaC8Br2F12O
Molecular Weight499.87 g/mol
Exact Mass497.81
IUPAC Name4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene
SMILESFC(F)=C(OC(=C(F)F)C(F)(F)C(F)(F)Br)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8Br2F12O/c9-7(19,20)5(15,16)1(3(11)12)23-2(4(13)14)6(17,18)8(10,21)22
InChIKeyZCFOEBGWQMZLFE-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.87
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The IUPAC name of 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene (CID 56632525) is 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene.
What is the SMILES notation for 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The canonical SMILES for 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene is FC(F)=C(OC(=C(F)F)C(F)(F)C(F)(F)Br)C(F)(F)C(F)(F)Br.
What is the InChIKey of 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene?
The InChIKey is ZCFOEBGWQMZLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Br2F12O/c9-7(19,20)5(15,16)1(3(11)12)23-2(4(13)14)6(17,18)8(10,21)22.
What are the key properties of 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene?
4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene has a molecular weight of 499.87 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 56632525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).