1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene

C8H5BrClF — CID 125477288

IUPAC1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
SMILESF/C(=C\Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H5BrClF/c9-5-8(11)6-1-3-7(10)4-2-6/h1-5H/b8-5-
InChIKeyJARRESNQKMBPMB-YVMONPNESA-N
MW235.48 g/mol
LogP4.00
Rot. Bonds1

About 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene

1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene (PubChem CID 125477288) has the molecular formula C8H5BrClF and a molecular weight of 235.48 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
PubChem CID125477288
Molecular FormulaC8H5BrClF
Molecular Weight235.48 g/mol
Exact Mass233.92
IUPAC Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
SMILESF/C(=C\Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H5BrClF/c9-5-8(11)6-1-3-7(10)4-2-6/h1-5H/b8-5-
InChIKeyJARRESNQKMBPMB-YVMONPNESA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
CID 125477335
1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
CID 67122554
1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
CID 125477226
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane
CID 173075526
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 177387883
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
CID 166063999
1-bromo-4-chlorobenzene
CID 7806
1-chloro-4-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]benzene
CID 11715966

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene (CID 125477288) is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene is F/C(=C\Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene?
The InChIKey is JARRESNQKMBPMB-YVMONPNESA-N. The full InChI is InChI=1S/C8H5BrClF/c9-5-8(11)6-1-3-7(10)4-2-6/h1-5H/b8-5-.
What are the key properties of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene?
1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene has a molecular weight of 235.48 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene is sourced from PubChem (CID 125477288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).