1-bromo-2-ethenyl-4-fluorobenzene

C8H6BrF — CID 11241089

IUPAC1-bromo-2-ethenyl-4-fluorobenzene
SMILESC=Cc1cc(F)ccc1Br
InChIInChI=1S/C8H6BrF/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2
InChIKeyCGBWASPURDORDZ-UHFFFAOYSA-N
MW201.04 g/mol
LogP3.23
Rot. Bonds1

About 1-bromo-2-ethenyl-4-fluorobenzene

1-bromo-2-ethenyl-4-fluorobenzene (PubChem CID 11241089) has the molecular formula C8H6BrF and a molecular weight of 201.04 g/mol. Its IUPAC name is 1-bromo-2-ethenyl-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-ethenyl-4-fluorobenzene
PubChem CID11241089
Molecular FormulaC8H6BrF
Molecular Weight201.04 g/mol
Exact Mass199.96
IUPAC Name1-bromo-2-ethenyl-4-fluorobenzene
SMILESC=Cc1cc(F)ccc1Br
InChIInChI=1S/C8H6BrF/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2
InChIKeyCGBWASPURDORDZ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.04
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenyl-4-fluorobenzene?
The IUPAC name of 1-bromo-2-ethenyl-4-fluorobenzene (CID 11241089) is 1-bromo-2-ethenyl-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-ethenyl-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-ethenyl-4-fluorobenzene is C=Cc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-2-ethenyl-4-fluorobenzene?
The InChIKey is CGBWASPURDORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2.
What are the key properties of 1-bromo-2-ethenyl-4-fluorobenzene?
1-bromo-2-ethenyl-4-fluorobenzene has a molecular weight of 201.04 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenyl-4-fluorobenzene is sourced from PubChem (CID 11241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).