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

C14H8Br2F4 — CID 107333360

IUPAC4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H8Br2F4/c15-9-3-6-11(12(7-9)14(18,19)20)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyIFJXHGLNFHRTTO-UHFFFAOYSA-N
MW412.02 g/mol
LogP6.09
Rot. Bonds2

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

4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene (PubChem CID 107333360) has the molecular formula C14H8Br2F4 and a molecular weight of 412.02 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
PubChem CID107333360
Molecular FormulaC14H8Br2F4
Molecular Weight412.02 g/mol
Exact Mass409.89
IUPAC Name4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H8Br2F4/c15-9-3-6-11(12(7-9)14(18,19)20)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyIFJXHGLNFHRTTO-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.02
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene (CID 107333360) is 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene is Fc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene?
The InChIKey is IFJXHGLNFHRTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F4/c15-9-3-6-11(12(7-9)14(18,19)20)13(16)8-1-4-10(17)5-2-8/h1-7,13H.
What are the key properties of 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene?
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene has a molecular weight of 412.02 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107333360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).