2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene

C14H10Br3F — CID 114020716

IUPAC2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H10Br3F/c15-10-3-6-12(14(17)8-10)13(16)7-9-1-4-11(18)5-2-9/h1-6,8,13H,7H2
InChIKeyPWSGKWUDMPOHRR-UHFFFAOYSA-N
MW436.94 g/mol
LogP6.03
Rot. Bonds3

About 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene

2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene (PubChem CID 114020716) has the molecular formula C14H10Br3F and a molecular weight of 436.94 g/mol. Its IUPAC name is 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
PubChem CID114020716
Molecular FormulaC14H10Br3F
Molecular Weight436.94 g/mol
Exact Mass433.83
IUPAC Name2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H10Br3F/c15-10-3-6-12(14(17)8-10)13(16)7-9-1-4-11(18)5-2-9/h1-6,8,13H,7H2
InChIKeyPWSGKWUDMPOHRR-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
CID 63531747
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008
2,4-dibromo-1-[1-bromo-2-(4-nitrophenyl)ethyl]benzene
CID 107958028
2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
CID 107958068
1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 63542087
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304095
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
CID 63531593
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene (CID 114020716) is 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene is Fc1ccc(CC(Br)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The InChIKey is PWSGKWUDMPOHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3F/c15-10-3-6-12(14(17)8-10)13(16)7-9-1-4-11(18)5-2-9/h1-6,8,13H,7H2.
What are the key properties of 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene has a molecular weight of 436.94 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 114020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).