1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene

C8H8Br2F4O — CID 141435557

IUPAC1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene
SMILESFC(F)C=CC(Br)OC(Br)C=CC(F)F
InChIInChI=1S/C8H8Br2F4O/c9-5(1-3-7(11)12)15-6(10)2-4-8(13)14/h1-8H
InChIKeyGJIGJFDUAJCVRU-UHFFFAOYSA-N
MW355.95 g/mol
LogP4.09
Rot. Bonds6

About 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene

1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene (PubChem CID 141435557) has the molecular formula C8H8Br2F4O and a molecular weight of 355.95 g/mol. Its IUPAC name is 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene.

Molecular Properties

Compound Name1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene
PubChem CID141435557
Molecular FormulaC8H8Br2F4O
Molecular Weight355.95 g/mol
Exact Mass353.89
IUPAC Name1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene
SMILESFC(F)C=CC(Br)OC(Br)C=CC(F)F
InChIInChI=1S/C8H8Br2F4O/c9-5(1-3-7(11)12)15-6(10)2-4-8(13)14/h1-8H
InChIKeyGJIGJFDUAJCVRU-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene?
The IUPAC name of 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene (CID 141435557) is 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene.
What is the SMILES notation for 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene?
The canonical SMILES for 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene is FC(F)C=CC(Br)OC(Br)C=CC(F)F.
What is the InChIKey of 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene?
The InChIKey is GJIGJFDUAJCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F4O/c9-5(1-3-7(11)12)15-6(10)2-4-8(13)14/h1-8H.
What are the key properties of 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene?
1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene has a molecular weight of 355.95 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(1-bromo-4,4-difluorobut-2-enoxy)-4,4-difluorobut-2-ene is sourced from PubChem (CID 141435557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).