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

C14H10Br2ClF — CID 63429264

IUPAC1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Cl)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H10Br2ClF/c15-10-3-6-13(16)12(8-10)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14H,7H2
InChIKeyUAURSKZCBYZDDU-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.87
Rot. Bonds3

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

1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene (PubChem CID 63429264) has the molecular formula C14H10Br2ClF and a molecular weight of 392.49 g/mol. Its IUPAC name is 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
PubChem CID63429264
Molecular FormulaC14H10Br2ClF
Molecular Weight392.49 g/mol
Exact Mass389.88
IUPAC Name1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Cl)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H10Br2ClF/c15-10-3-6-13(16)12(8-10)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14H,7H2
InChIKeyUAURSKZCBYZDDU-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.87
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

1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
CID 81472720
[1-(2,5-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283783
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
[1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107948008

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene (CID 63429264) is 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene is Fc1ccc(CC(Cl)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene?
The InChIKey is UAURSKZCBYZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF/c15-10-3-6-13(16)12(8-10)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14H,7H2.
What are the key properties of 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene?
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene has a molecular weight of 392.49 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 63429264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).