1-bromo-2-fluorobut-1-ene

C4H6BrF — CID 54217563

IUPAC1-bromo-2-fluorobut-1-ene
SMILESCCC(F)=CBr
InChIInChI=1S/C4H6BrF/c1-2-4(6)3-5/h3H,2H2,1H3
InChIKeyHALXTMRJFHLNAB-UHFFFAOYSA-N
MW152.99 g/mol
LogP2.60
Rot. Bonds1

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

1-bromo-2-fluorobut-1-ene (PubChem CID 54217563) has the molecular formula C4H6BrF and a molecular weight of 152.99 g/mol. Its IUPAC name is 1-bromo-2-fluorobut-1-ene.

Molecular Properties

Compound Name1-bromo-2-fluorobut-1-ene
PubChem CID54217563
Molecular FormulaC4H6BrF
Molecular Weight152.99 g/mol
Exact Mass151.96
IUPAC Name1-bromo-2-fluorobut-1-ene
SMILESCCC(F)=CBr
InChIInChI=1S/C4H6BrF/c1-2-4(6)3-5/h3H,2H2,1H3
InChIKeyHALXTMRJFHLNAB-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluorobut-1-ene?
The IUPAC name of 1-bromo-2-fluorobut-1-ene (CID 54217563) is 1-bromo-2-fluorobut-1-ene.
What is the SMILES notation for 1-bromo-2-fluorobut-1-ene?
The canonical SMILES for 1-bromo-2-fluorobut-1-ene is CCC(F)=CBr.
What is the InChIKey of 1-bromo-2-fluorobut-1-ene?
The InChIKey is HALXTMRJFHLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF/c1-2-4(6)3-5/h3H,2H2,1H3.
What are the key properties of 1-bromo-2-fluorobut-1-ene?
1-bromo-2-fluorobut-1-ene has a molecular weight of 152.99 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluorobut-1-ene is sourced from PubChem (CID 54217563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).