4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene

C14H10BrCl2F — CID 107993413

IUPAC4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(16)5-2-9)10-3-6-13(17)14(18)8-10/h1-6,8,12H,7H2
InChIKeyJAFPCIOEVUENNA-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.81
Rot. Bonds3

About 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene

4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene (PubChem CID 107993413) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
PubChem CID107993413
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(16)5-2-9)10-3-6-13(17)14(18)8-10/h1-6,8,12H,7H2
InChIKeyJAFPCIOEVUENNA-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.04
LogP ≤ 55.81
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

4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene (CID 107993413) is 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene is Fc1cc(C(Br)Cc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene?
The InChIKey is JAFPCIOEVUENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(16)5-2-9)10-3-6-13(17)14(18)8-10/h1-6,8,12H,7H2.
What are the key properties of 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene?
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene has a molecular weight of 348.04 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 107993413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).