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

C14H11BrClF — CID 55198173

IUPAC1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11BrClF/c15-14(11-4-6-13(17)7-5-11)9-10-2-1-3-12(16)8-10/h1-8,14H,9H2
InChIKeySPILHLZAOZYECK-UHFFFAOYSA-N
MW313.60 g/mol
LogP5.16
Rot. Bonds3

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

1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene (PubChem CID 55198173) has the molecular formula C14H11BrClF and a molecular weight of 313.60 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
PubChem CID55198173
Molecular FormulaC14H11BrClF
Molecular Weight313.60 g/mol
Exact Mass311.97
IUPAC Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H11BrClF/c15-14(11-4-6-13(17)7-5-11)9-10-2-1-3-12(16)8-10/h1-8,14H,9H2
InChIKeySPILHLZAOZYECK-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.60
LogP ≤ 55.16
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-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
CID 63438087
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene (CID 55198173) is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene is Fc1ccc(C(Br)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene?
The InChIKey is SPILHLZAOZYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF/c15-14(11-4-6-13(17)7-5-11)9-10-2-1-3-12(16)8-10/h1-8,14H,9H2.
What are the key properties of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene?
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene has a molecular weight of 313.60 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 55198173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).