2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene

C15H12Br2ClF — CID 79454780

IUPAC2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CBr)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12Br2ClF/c16-9-11(12-3-1-2-4-14(12)18)7-10-5-6-15(19)13(17)8-10/h1-6,8,11H,7,9H2
InChIKeyOXAMOANNEGCAIO-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.96
Rot. Bonds4

About 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene

2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene (PubChem CID 79454780) has the molecular formula C15H12Br2ClF and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
PubChem CID79454780
Molecular FormulaC15H12Br2ClF
Molecular Weight406.52 g/mol
Exact Mass403.90
IUPAC Name2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CBr)c2ccccc2Cl)cc1Br
InChIInChI=1S/C15H12Br2ClF/c16-9-11(12-3-1-2-4-14(12)18)7-10-5-6-15(19)13(17)8-10/h1-6,8,11H,7,9H2
InChIKeyOXAMOANNEGCAIO-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.96
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-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
CID 79454557
1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 63410648
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene (CID 79454780) is 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene is Fc1ccc(CC(CBr)c2ccccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The InChIKey is OXAMOANNEGCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF/c16-9-11(12-3-1-2-4-14(12)18)7-10-5-6-15(19)13(17)8-10/h1-6,8,11H,7,9H2.
What are the key properties of 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene has a molecular weight of 406.52 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene is sourced from PubChem (CID 79454780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).