1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene

C14H9Br2Cl2F — CID 55224478

IUPAC1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C14H9Br2Cl2F/c15-10-3-2-9(7-14(10)19)11(16)5-8-1-4-12(17)13(18)6-8/h1-4,6-7,11H,5H2
InChIKeyPXNORWQRXBEJMA-UHFFFAOYSA-N
MW426.94 g/mol
LogP6.57
Rot. Bonds3

About 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene

1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene (PubChem CID 55224478) has the molecular formula C14H9Br2Cl2F and a molecular weight of 426.94 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
PubChem CID55224478
Molecular FormulaC14H9Br2Cl2F
Molecular Weight426.94 g/mol
Exact Mass423.84
IUPAC Name1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C14H9Br2Cl2F/c15-10-3-2-9(7-14(10)19)11(16)5-8-1-4-12(17)13(18)6-8/h1-4,6-7,11H,5H2
InChIKeyPXNORWQRXBEJMA-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 56.57
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-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
[1-(4-bromo-3-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044284
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene (CID 55224478) is 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene is Fc1cc(C(Br)Cc2ccc(Cl)c(Cl)c2)ccc1Br.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene?
The InChIKey is PXNORWQRXBEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2F/c15-10-3-2-9(7-14(10)19)11(16)5-8-1-4-12(17)13(18)6-8/h1-4,6-7,11H,5H2.
What are the key properties of 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene?
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene has a molecular weight of 426.94 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene is sourced from PubChem (CID 55224478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).