4-bromo-2-fluorobut-1-ene

C4H6BrF — CID 20806743

IUPAC4-bromo-2-fluorobut-1-ene
SMILESC=C(F)CCBr
InChIInChI=1S/C4H6BrF/c1-4(6)2-3-5/h1-3H2
InChIKeyDGDXZBPYEXTRAS-UHFFFAOYSA-N
MW152.99 g/mol
LogP2.25
Rot. Bonds2

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

4-bromo-2-fluorobut-1-ene (PubChem CID 20806743) has the molecular formula C4H6BrF and a molecular weight of 152.99 g/mol. Its IUPAC name is 4-bromo-2-fluorobut-1-ene.

Molecular Properties

Compound Name4-bromo-2-fluorobut-1-ene
PubChem CID20806743
Molecular FormulaC4H6BrF
Molecular Weight152.99 g/mol
Exact Mass151.96
IUPAC Name4-bromo-2-fluorobut-1-ene
SMILESC=C(F)CCBr
InChIInChI=1S/C4H6BrF/c1-4(6)2-3-5/h1-3H2
InChIKeyDGDXZBPYEXTRAS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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 4-bromo-2-fluorobut-1-ene?
The IUPAC name of 4-bromo-2-fluorobut-1-ene (CID 20806743) is 4-bromo-2-fluorobut-1-ene.
What is the SMILES notation for 4-bromo-2-fluorobut-1-ene?
The canonical SMILES for 4-bromo-2-fluorobut-1-ene is C=C(F)CCBr.
What is the InChIKey of 4-bromo-2-fluorobut-1-ene?
The InChIKey is DGDXZBPYEXTRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF/c1-4(6)2-3-5/h1-3H2.
What are the key properties of 4-bromo-2-fluorobut-1-ene?
4-bromo-2-fluorobut-1-ene has a molecular weight of 152.99 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluorobut-1-ene is sourced from PubChem (CID 20806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).