(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene

C4HBr2F5 — CID 52991882

IUPAC(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene
SMILESFC(F)(F)/C=C(\Br)C(F)(F)Br
InChIInChI=1S/C4HBr2F5/c5-2(4(6,10)11)1-3(7,8)9/h1H/b2-1-
InChIKeyVDBSJDJYQXHGCV-UPHRSURJSA-N
MW303.85 g/mol
LogP3.82
Rot. Bonds1

About (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene

(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene (PubChem CID 52991882) has the molecular formula C4HBr2F5 and a molecular weight of 303.85 g/mol. Its IUPAC name is (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene
PubChem CID52991882
Molecular FormulaC4HBr2F5
Molecular Weight303.85 g/mol
Exact Mass301.84
IUPAC Name(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene
SMILESFC(F)(F)/C=C(\Br)C(F)(F)Br
InChIInChI=1S/C4HBr2F5/c5-2(4(6,10)11)1-3(7,8)9/h1H/b2-1-
InChIKeyVDBSJDJYQXHGCV-UPHRSURJSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene?
The IUPAC name of (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene (CID 52991882) is (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene.
What is the SMILES notation for (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene?
The canonical SMILES for (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene is FC(F)(F)/C=C(\Br)C(F)(F)Br.
What is the InChIKey of (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene?
The InChIKey is VDBSJDJYQXHGCV-UPHRSURJSA-N. The full InChI is InChI=1S/C4HBr2F5/c5-2(4(6,10)11)1-3(7,8)9/h1H/b2-1-.
What are the key properties of (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene?
(Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene has a molecular weight of 303.85 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dibromo-1,1,4,4,4-pentafluorobut-2-ene is sourced from PubChem (CID 52991882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).