1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene

C15H11BrClF3 — CID 65100197

IUPAC1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Br
InChIInChI=1S/C15H11BrClF3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3
InChIKeyXMNSKZGDGPAZSM-UHFFFAOYSA-N
MW363.60 g/mol
LogP5.81
Rot. Bonds2

About 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene

1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene (PubChem CID 65100197) has the molecular formula C15H11BrClF3 and a molecular weight of 363.60 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
PubChem CID65100197
Molecular FormulaC15H11BrClF3
Molecular Weight363.60 g/mol
Exact Mass361.97
IUPAC Name1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Br
InChIInChI=1S/C15H11BrClF3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3
InChIKeyXMNSKZGDGPAZSM-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene 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

1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
CID 65100290
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 81473551
1,4-dibromo-2-[chloro-(3,5-difluorophenyl)methyl]-5-methylbenzene
CID 81473564
1-bromo-5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396173
1,4-dibromo-2-[chloro-(2-chloro-6-fluorophenyl)methyl]-5-methylbenzene
CID 81473874
1-[(2-bromo-6-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114560686
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734
1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
CID 81112789
1,4-dibromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylbenzene
CID 81474193
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
2-[(4-bromo-2-methylphenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427678

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene (CID 65100197) is 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene is Cc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Br.
What is the InChIKey of 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The InChIKey is XMNSKZGDGPAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3.
What are the key properties of 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene has a molecular weight of 363.60 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene is sourced from PubChem (CID 65100197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).