1-bromo-4-fluorobut-1-ene

C4H6BrF — CID 54066117

IUPAC1-bromo-4-fluorobut-1-ene
SMILESFCCC=CBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1,3H,2,4H2
InChIKeyMDCRCRRHCSUSCO-UHFFFAOYSA-N
MW152.99 g/mol
LogP2.25
Rot. Bonds2

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

1-bromo-4-fluorobut-1-ene (PubChem CID 54066117) has the molecular formula C4H6BrF and a molecular weight of 152.99 g/mol. Its IUPAC name is 1-bromo-4-fluorobut-1-ene.

Molecular Properties

Compound Name1-bromo-4-fluorobut-1-ene
PubChem CID54066117
Molecular FormulaC4H6BrF
Molecular Weight152.99 g/mol
Exact Mass151.96
IUPAC Name1-bromo-4-fluorobut-1-ene
SMILESFCCC=CBr
InChIInChI=1S/C4H6BrF/c5-3-1-2-4-6/h1,3H,2,4H2
InChIKeyMDCRCRRHCSUSCO-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

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Related Compounds

Homoallyl bromide
CID 21241
1-Butene, 1-bromo-
CID 5364400
1-Bromobut-1-ene
CID 35945
1-Butene, 1-bromo-, (Z)-
CID 5463114
4-Bromo-3-fluorobut-1-ene
CID 13147001
Allylvinyl bromine
CID 54260452
3-Bromo-3-fluoroprop-1-ene
CID 12769984
(E)-3-bromo-1-fluoroprop-1-ene
CID 12769985
(E)-1-bromo-4-fluorobut-2-ene
CID 13147003
4-Bromo-2-fluorobut-1-ene
CID 20806743
(E)-1-bromo-4,4,4-trifluorobut-1-ene
CID 23049288
1-Bromo-2-fluorobut-1-ene
CID 54217563

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobut-1-ene?
The IUPAC name of 1-bromo-4-fluorobut-1-ene (CID 54066117) is 1-bromo-4-fluorobut-1-ene.
What is the SMILES notation for 1-bromo-4-fluorobut-1-ene?
The canonical SMILES for 1-bromo-4-fluorobut-1-ene is FCCC=CBr.
What is the InChIKey of 1-bromo-4-fluorobut-1-ene?
The InChIKey is MDCRCRRHCSUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF/c5-3-1-2-4-6/h1,3H,2,4H2.
What are the key properties of 1-bromo-4-fluorobut-1-ene?
1-bromo-4-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 1-bromo-4-fluorobut-1-ene is sourced from PubChem (CID 54066117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).