1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene

C15H10Br3F3 — CID 107981106

IUPAC1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CC(Br)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C15H10Br3F3/c16-12-6-10(7-13(17)8-12)14(18)5-9-1-3-11(4-2-9)15(19,20)21/h1-4,6-8,14H,5H2
InChIKeyFUDXGHUFFPUQTA-UHFFFAOYSA-N
MW486.95 g/mol
LogP6.91
Rot. Bonds3

About 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene

1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 107981106) has the molecular formula C15H10Br3F3 and a molecular weight of 486.95 g/mol. Its IUPAC name is 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID107981106
Molecular FormulaC15H10Br3F3
Molecular Weight486.95 g/mol
Exact Mass483.83
IUPAC Name1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CC(Br)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C15H10Br3F3/c16-12-6-10(7-13(17)8-12)14(18)5-9-1-3-11(4-2-9)15(19,20)21/h1-4,6-8,14H,5H2
InChIKeyFUDXGHUFFPUQTA-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.95
LogP ≤ 56.91
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

1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
2-bromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 63530053
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
CID 63531747
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine
CID 114552962
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
CID 107958041
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
3-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2,4,5-trimethylfuran
CID 65152402

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 107981106) is 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene is FC(F)(F)c1ccc(CC(Br)c2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is FUDXGHUFFPUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br3F3/c16-12-6-10(7-13(17)8-12)14(18)5-9-1-3-11(4-2-9)15(19,20)21/h1-4,6-8,14H,5H2.
What are the key properties of 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 486.95 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 107981106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).