(E)-1-bromo-4-fluorobut-2-ene

C4H6BrF — CID 13147003

IUPAC(E)-1-bromo-4-fluorobut-2-ene
SMILESFC/C=C/CBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKeyKEMGOGDGDSMURZ-OWOJBTEDSA-N
MW152.99 g/mol
LogP1.91
Rot. Bonds2

About (E)-1-bromo-4-fluorobut-2-ene

(E)-1-bromo-4-fluorobut-2-ene (PubChem CID 13147003) has the molecular formula C4H6BrF and a molecular weight of 152.99 g/mol. Its IUPAC name is (E)-1-bromo-4-fluorobut-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-4-fluorobut-2-ene
PubChem CID13147003
Molecular FormulaC4H6BrF
Molecular Weight152.99 g/mol
Exact Mass151.96
IUPAC Name(E)-1-bromo-4-fluorobut-2-ene
SMILESFC/C=C/CBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKeyKEMGOGDGDSMURZ-OWOJBTEDSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (E)-1-bromo-4-fluorobut-2-ene?
The IUPAC name of (E)-1-bromo-4-fluorobut-2-ene (CID 13147003) is (E)-1-bromo-4-fluorobut-2-ene.
What is the SMILES notation for (E)-1-bromo-4-fluorobut-2-ene?
The canonical SMILES for (E)-1-bromo-4-fluorobut-2-ene is FC/C=C/CBr.
What is the InChIKey of (E)-1-bromo-4-fluorobut-2-ene?
The InChIKey is KEMGOGDGDSMURZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+.
What are the key properties of (E)-1-bromo-4-fluorobut-2-ene?
(E)-1-bromo-4-fluorobut-2-ene has a molecular weight of 152.99 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-4-fluorobut-2-ene is sourced from PubChem (CID 13147003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).