1-bromo-4-[(E)-2-fluoroethenyl]benzene

C8H6BrF — CID 121329512

IUPAC1-bromo-4-[(E)-2-fluoroethenyl]benzene
SMILESF/C=C/c1ccc(Br)cc1
InChIInChI=1S/C8H6BrF/c9-8-3-1-7(2-4-8)5-6-10/h1-6H/b6-5+
InChIKeyRYKYRGFFEIUGPL-AATRIKPKSA-N
MW201.04 g/mol
LogP3.39
Rot. Bonds1

About 1-bromo-4-[(E)-2-fluoroethenyl]benzene

1-bromo-4-[(E)-2-fluoroethenyl]benzene (PubChem CID 121329512) has the molecular formula C8H6BrF and a molecular weight of 201.04 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-fluoroethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-fluoroethenyl]benzene
PubChem CID121329512
Molecular FormulaC8H6BrF
Molecular Weight201.04 g/mol
Exact Mass199.96
IUPAC Name1-bromo-4-[(E)-2-fluoroethenyl]benzene
SMILESF/C=C/c1ccc(Br)cc1
InChIInChI=1S/C8H6BrF/c9-8-3-1-7(2-4-8)5-6-10/h1-6H/b6-5+
InChIKeyRYKYRGFFEIUGPL-AATRIKPKSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-fluoroethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-fluoroethenyl]benzene (CID 121329512) is 1-bromo-4-[(E)-2-fluoroethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-fluoroethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-fluoroethenyl]benzene is F/C=C/c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-fluoroethenyl]benzene?
The InChIKey is RYKYRGFFEIUGPL-AATRIKPKSA-N. The full InChI is InChI=1S/C8H6BrF/c9-8-3-1-7(2-4-8)5-6-10/h1-6H/b6-5+.
What are the key properties of 1-bromo-4-[(E)-2-fluoroethenyl]benzene?
1-bromo-4-[(E)-2-fluoroethenyl]benzene has a molecular weight of 201.04 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-fluoroethenyl]benzene is sourced from PubChem (CID 121329512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).