4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene

C15H11Br2F3 — CID 107333507

IUPAC4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H11Br2F3/c16-11-6-7-12(13(9-11)15(18,19)20)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2
InChIKeyDZPDCGGIJHVPLN-UHFFFAOYSA-N
MW408.06 g/mol
LogP6.15
Rot. Bonds3

About 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene

4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene (PubChem CID 107333507) has the molecular formula C15H11Br2F3 and a molecular weight of 408.06 g/mol. Its IUPAC name is 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
PubChem CID107333507
Molecular FormulaC15H11Br2F3
Molecular Weight408.06 g/mol
Exact Mass405.92
IUPAC Name4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H11Br2F3/c16-11-6-7-12(13(9-11)15(18,19)20)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2
InChIKeyDZPDCGGIJHVPLN-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.06
LogP ≤ 56.15
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

4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 107333503
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
CID 63411022
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
[1-[4-bromo-2-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]hydrazine
CID 105212854
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
benzyl N-[3-[4-bromo-2-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171857066
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83172736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene (CID 107333507) is 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)ccc1C(Br)Cc1ccccc1.
What is the InChIKey of 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene?
The InChIKey is DZPDCGGIJHVPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F3/c16-11-6-7-12(13(9-11)15(18,19)20)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2.
What are the key properties of 4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene?
4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene has a molecular weight of 408.06 g/mol, XLogP of 6.15, 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-phenylethyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107333507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).