1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene

C15H10BrCl2F — CID 89436956

IUPAC1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1CBr
InChIInChI=1S/C15H10BrCl2F/c16-9-12-7-13(17)5-3-10(12)1-2-11-4-6-14(18)8-15(11)19/h1-8H,9H2/b2-1+
InChIKeyKXLFYGXXEDAOPX-OWOJBTEDSA-N
MW360.05 g/mol
LogP6.20
Rot. Bonds3

About 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene

1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene (PubChem CID 89436956) has the molecular formula C15H10BrCl2F and a molecular weight of 360.05 g/mol. Its IUPAC name is 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene
PubChem CID89436956
Molecular FormulaC15H10BrCl2F
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1CBr
InChIInChI=1S/C15H10BrCl2F/c16-9-12-7-13(17)5-3-10(12)1-2-11-4-6-14(18)8-15(11)19/h1-8H,9H2/b2-1+
InChIKeyKXLFYGXXEDAOPX-OWOJBTEDSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.05
LogP ≤ 56.20
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 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene (CID 89436956) is 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1CBr.
What is the InChIKey of 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene?
The InChIKey is KXLFYGXXEDAOPX-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H10BrCl2F/c16-9-12-7-13(17)5-3-10(12)1-2-11-4-6-14(18)8-15(11)19/h1-8H,9H2/b2-1+.
What are the key properties of 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene?
1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene has a molecular weight of 360.05 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[2-(bromomethyl)-4-chlorophenyl]ethenyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 89436956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).