(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene

C4Br2F6 — CID 2783195

IUPAC(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
SMILESF/C(=C(/F)C(F)(F)Br)C(F)(F)Br
InChIInChI=1S/C4Br2F6/c5-3(9,10)1(7)2(8)4(6,11)12/b2-1+
InChIKeyBDJHSJLEJXRSSG-OWOJBTEDSA-N
MW321.84 g/mol
LogP4.11
Rot. Bonds2

About (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene

(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene (PubChem CID 2783195) has the molecular formula C4Br2F6 and a molecular weight of 321.84 g/mol. Its IUPAC name is (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
PubChem CID2783195
Molecular FormulaC4Br2F6
Molecular Weight321.84 g/mol
Exact Mass319.83
IUPAC Name(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
SMILESF/C(=C(/F)C(F)(F)Br)C(F)(F)Br
InChIInChI=1S/C4Br2F6/c5-3(9,10)1(7)2(8)4(6,11)12/b2-1+
InChIKeyBDJHSJLEJXRSSG-OWOJBTEDSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 564811
CID 131862435
CID 131862435
4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene
CID 57013236
1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene
CID 91199140
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723
1,1,3-tribromo-1,3,3-trifluoropropan-2-one
CID 22245228
potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride
CID 175208063
3-bromo-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060805
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
bromo(trifluoro)methane;propan-2-one
CID 174337129
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
bromo(trifluoro)methane;phosphoric acid
CID 172736690

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene?
The IUPAC name of (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene (CID 2783195) is (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene.
What is the SMILES notation for (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene?
The canonical SMILES for (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene is F/C(=C(/F)C(F)(F)Br)C(F)(F)Br.
What is the InChIKey of (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene?
The InChIKey is BDJHSJLEJXRSSG-OWOJBTEDSA-N. The full InChI is InChI=1S/C4Br2F6/c5-3(9,10)1(7)2(8)4(6,11)12/b2-1+.
What are the key properties of (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene?
(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene has a molecular weight of 321.84 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 2783195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).