2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene

C15H11BrClF — CID 2781297

IUPAC2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene
SMILESFc1cccc(Cl)c1C=Cc1ccc(CBr)cc1
InChIInChI=1S/C15H11BrClF/c16-10-12-6-4-11(5-7-12)8-9-13-14(17)2-1-3-15(13)18/h1-9H,10H2
InChIKeyVEZAAMCYMVBLFV-UHFFFAOYSA-N
MW325.61 g/mol
LogP5.54
Rot. Bonds3

About 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene

2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene (PubChem CID 2781297) has the molecular formula C15H11BrClF and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene
PubChem CID2781297
Molecular FormulaC15H11BrClF
Molecular Weight325.61 g/mol
Exact Mass323.97
IUPAC Name2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene
SMILESFc1cccc(Cl)c1C=Cc1ccc(CBr)cc1
InChIInChI=1S/C15H11BrClF/c16-10-12-6-4-11(5-7-12)8-9-13-14(17)2-1-3-15(13)18/h1-9H,10H2
InChIKeyVEZAAMCYMVBLFV-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.61
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene?
The IUPAC name of 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene (CID 2781297) is 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene is Fc1cccc(Cl)c1C=Cc1ccc(CBr)cc1.
What is the InChIKey of 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene?
The InChIKey is VEZAAMCYMVBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF/c16-10-12-6-4-11(5-7-12)8-9-13-14(17)2-1-3-15(13)18/h1-9H,10H2.
What are the key properties of 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene?
2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene has a molecular weight of 325.61 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(bromomethyl)phenyl]ethenyl]-1-chloro-3-fluorobenzene is sourced from PubChem (CID 2781297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).