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

C14H10BrCl2F — CID 63444797

IUPAC4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
SMILESFc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(18)5-2-9)10-3-6-13(16)14(17)8-10/h1-6,8,12H,7H2
InChIKeyRCSNLZPNSPWBGR-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.81
Rot. Bonds3

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

4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene (PubChem CID 63444797) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
PubChem CID63444797
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
SMILESFc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(18)5-2-9)10-3-6-13(16)14(17)8-10/h1-6,8,12H,7H2
InChIKeyRCSNLZPNSPWBGR-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-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
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-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene (CID 63444797) is 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene is Fc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene?
The InChIKey is RCSNLZPNSPWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-12(7-9-1-4-11(18)5-2-9)10-3-6-13(16)14(17)8-10/h1-6,8,12H,7H2.
What are the key properties of 4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene?
4-[1-bromo-2-(4-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-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 63444797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).