4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene

C14H10BrCl2F — CID 55225048

IUPAC4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
SMILESFc1ccccc1C(Br)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2F/c15-11(10-3-1-2-4-14(10)18)7-9-5-6-12(16)13(17)8-9/h1-6,8,11H,7H2
InChIKeySOUJEFUBTFNQAU-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.81
Rot. Bonds3

About 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene

4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene (PubChem CID 55225048) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
PubChem CID55225048
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
SMILESFc1ccccc1C(Br)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2F/c15-11(10-3-1-2-4-14(10)18)7-9-5-6-12(16)13(17)8-9/h1-6,8,11H,7H2
InChIKeySOUJEFUBTFNQAU-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'}

Analyze 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140040
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
1-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
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
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
CID 63441847
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene (CID 55225048) is 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene is Fc1ccccc1C(Br)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The InChIKey is SOUJEFUBTFNQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-11(10-3-1-2-4-14(10)18)7-9-5-6-12(16)13(17)8-9/h1-6,8,11H,7H2.
What are the key properties of 4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene?
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene 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-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 55225048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).