(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene

C4BrF7 — CID 23234723

IUPAC(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
SMILESF/C(=C(/Br)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4BrF7/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKeyMLVGEIZMIFSKRK-OWOJBTEDSA-N
MW260.93 g/mol
LogP3.69
Rot. Bonds

About (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene

(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene (PubChem CID 23234723) has the molecular formula C4BrF7 and a molecular weight of 260.93 g/mol. Its IUPAC name is (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
PubChem CID23234723
Molecular FormulaC4BrF7
Molecular Weight260.93 g/mol
Exact Mass259.91
IUPAC Name(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
SMILESF/C(=C(/Br)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4BrF7/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKeyMLVGEIZMIFSKRK-OWOJBTEDSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.93
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The IUPAC name of (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene (CID 23234723) is (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene.
What is the SMILES notation for (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The canonical SMILES for (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene is F/C(=C(/Br)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene?
The InChIKey is MLVGEIZMIFSKRK-OWOJBTEDSA-N. The full InChI is InChI=1S/C4BrF7/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+.
What are the key properties of (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene?
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene has a molecular weight of 260.93 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene is sourced from PubChem (CID 23234723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).