2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene

C14H9Br3F2 — CID 107958068

IUPAC2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
SMILESFc1cccc(F)c1CC(Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3F2/c15-8-4-5-9(11(16)6-8)12(17)7-10-13(18)2-1-3-14(10)19/h1-6,12H,7H2
InChIKeyQUCHTADRADQIQR-UHFFFAOYSA-N
MW454.93 g/mol
LogP6.17
Rot. Bonds3

About 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene

2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene (PubChem CID 107958068) has the molecular formula C14H9Br3F2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
PubChem CID107958068
Molecular FormulaC14H9Br3F2
Molecular Weight454.93 g/mol
Exact Mass451.82
IUPAC Name2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
SMILESFc1cccc(F)c1CC(Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H9Br3F2/c15-8-4-5-9(11(16)6-8)12(17)7-10-13(18)2-1-3-14(10)19/h1-6,12H,7H2
InChIKeyQUCHTADRADQIQR-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.93
LogP ≤ 56.17
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

2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1-bromo-2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-4-iodobenzene
CID 114026478
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
CID 63531593
2,4-dibromo-1-[1-bromo-2-(4-nitrophenyl)ethyl]benzene
CID 107958028

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene?
The IUPAC name of 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene (CID 107958068) is 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene is Fc1cccc(F)c1CC(Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene?
The InChIKey is QUCHTADRADQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3F2/c15-8-4-5-9(11(16)6-8)12(17)7-10-13(18)2-1-3-14(10)19/h1-6,12H,7H2.
What are the key properties of 2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene?
2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene has a molecular weight of 454.93 g/mol, XLogP of 6.17, 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-(2,6-difluorophenyl)ethyl]benzene is sourced from PubChem (CID 107958068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).