1-bromo-4-fluorobut-2-ene

C4H6BrF — CID 57194373

IUPAC1-bromo-4-fluorobut-2-ene
SMILESFCC=CCBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2
InChIKeyKEMGOGDGDSMURZ-UHFFFAOYSA-N
MW152.99 g/mol
LogP1.91
Rot. Bonds2

About 1-bromo-4-fluorobut-2-ene

1-bromo-4-fluorobut-2-ene (PubChem CID 57194373) has the molecular formula C4H6BrF and a molecular weight of 152.99 g/mol. Its IUPAC name is 1-bromo-4-fluorobut-2-ene.

Molecular Properties

Compound Name1-bromo-4-fluorobut-2-ene
PubChem CID57194373
Molecular FormulaC4H6BrF
Molecular Weight152.99 g/mol
Exact Mass151.96
IUPAC Name1-bromo-4-fluorobut-2-ene
SMILESFCC=CCBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2
InChIKeyKEMGOGDGDSMURZ-UHFFFAOYSA-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 1-bromo-4-fluorobut-2-ene?
The IUPAC name of 1-bromo-4-fluorobut-2-ene (CID 57194373) is 1-bromo-4-fluorobut-2-ene.
What is the SMILES notation for 1-bromo-4-fluorobut-2-ene?
The canonical SMILES for 1-bromo-4-fluorobut-2-ene is FCC=CCBr.
What is the InChIKey of 1-bromo-4-fluorobut-2-ene?
The InChIKey is KEMGOGDGDSMURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2.
What are the key properties of 1-bromo-4-fluorobut-2-ene?
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 1-bromo-4-fluorobut-2-ene is sourced from PubChem (CID 57194373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).