1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene

C16H13BrClF — CID 134933644

IUPAC1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene
SMILESFc1ccc(/C(=C/CCBr)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13BrClF/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2/b16-2+
InChIKeyOTCZQLRYWDJHKH-APQPDGGLSA-N
MW339.64 g/mol
LogP5.70
Rot. Bonds4

About 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene

1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene (PubChem CID 134933644) has the molecular formula C16H13BrClF and a molecular weight of 339.64 g/mol. Its IUPAC name is 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene
PubChem CID134933644
Molecular FormulaC16H13BrClF
Molecular Weight339.64 g/mol
Exact Mass337.99
IUPAC Name1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene
SMILESFc1ccc(/C(=C/CCBr)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13BrClF/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2/b16-2+
InChIKeyOTCZQLRYWDJHKH-APQPDGGLSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.64
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene?
The IUPAC name of 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene (CID 134933644) is 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene?
The canonical SMILES for 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene is Fc1ccc(/C(=C/CCBr)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene?
The InChIKey is OTCZQLRYWDJHKH-APQPDGGLSA-N. The full InChI is InChI=1S/C16H13BrClF/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2/b16-2+.
What are the key properties of 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene?
1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene has a molecular weight of 339.64 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-bromo-1-(4-chlorophenyl)but-1-enyl]-4-fluorobenzene is sourced from PubChem (CID 134933644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).