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

C15H10BrClF4 — CID 107993438

IUPAC4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H10BrClF4/c16-12(10-3-6-13(17)14(18)8-10)7-9-1-4-11(5-2-9)15(19,20)21/h1-6,8,12H,7H2
InChIKeyQQUUEVXUUAGMQP-UHFFFAOYSA-N
MW381.59 g/mol
LogP6.18
Rot. Bonds3

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

4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene (PubChem CID 107993438) has the molecular formula C15H10BrClF4 and a molecular weight of 381.59 g/mol. Its IUPAC name is 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
PubChem CID107993438
Molecular FormulaC15H10BrClF4
Molecular Weight381.59 g/mol
Exact Mass379.96
IUPAC Name4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C(Br)Cc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H10BrClF4/c16-12(10-3-6-13(17)14(18)8-10)7-9-1-4-11(5-2-9)15(19,20)21/h1-6,8,12H,7H2
InChIKeyQQUUEVXUUAGMQP-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene 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

4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
CID 63531404
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 107981106
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene (CID 107993438) is 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene is Fc1cc(C(Br)Cc2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene?
The InChIKey is QQUUEVXUUAGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF4/c16-12(10-3-6-13(17)14(18)8-10)7-9-1-4-11(5-2-9)15(19,20)21/h1-6,8,12H,7H2.
What are the key properties of 4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene?
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene has a molecular weight of 381.59 g/mol, XLogP of 6.18, 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-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 107993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).