4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene

C15H10Br2F4 — CID 107333503

IUPAC4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESFc1cccc(CC(Br)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H10Br2F4/c16-10-4-5-12(13(8-10)15(19,20)21)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2
InChIKeyVZWZEOWQWYCJJS-UHFFFAOYSA-N
MW426.05 g/mol
LogP6.29
Rot. Bonds3

About 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene

4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene (PubChem CID 107333503) has the molecular formula C15H10Br2F4 and a molecular weight of 426.05 g/mol. Its IUPAC name is 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
PubChem CID107333503
Molecular FormulaC15H10Br2F4
Molecular Weight426.05 g/mol
Exact Mass423.91
IUPAC Name4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESFc1cccc(CC(Br)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H10Br2F4/c16-10-4-5-12(13(8-10)15(19,20)21)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2
InChIKeyVZWZEOWQWYCJJS-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.05
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene 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-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
CID 107333507
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
CID 63411022
2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
CID 55198404
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438442
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 65483223
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene (CID 107333503) is 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene is Fc1cccc(CC(Br)c2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
The InChIKey is VZWZEOWQWYCJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2F4/c16-10-4-5-12(13(8-10)15(19,20)21)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2.
What are the key properties of 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene?
4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene has a molecular weight of 426.05 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107333503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).