2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone

C9H4Br2ClF3O — CID 146675850

IUPAC2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CBr)c1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C9H4Br2ClF3O/c10-3-7(16)5-1-4(12)2-6(8(5)11)9(13,14)15/h1-2H,3H2
InChIKeyICRISDKNEBCJPG-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.70
Rot. Bonds2

About 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone

2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 146675850) has the molecular formula C9H4Br2ClF3O and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone
PubChem CID146675850
Molecular FormulaC9H4Br2ClF3O
Molecular Weight380.39 g/mol
Exact Mass377.83
IUPAC Name2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CBr)c1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C9H4Br2ClF3O/c10-3-7(16)5-1-4(12)2-6(8(5)11)9(13,14)15/h1-2H,3H2
InChIKeyICRISDKNEBCJPG-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-chloro-5-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171030119
2-bromo-1-[3-bromo-2-hydroxy-4-(trifluoromethyl)phenyl]ethanone
CID 171007461
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone
CID 13355521
2-bromo-1-[3-chloro-2-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171030108
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
CID 171008499
2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
1-[3-bromo-4-chloro-5-(trifluoromethyl)phenyl]-2-chloroethanone
CID 146675887
2-bromo-1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 131469467
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
CID 171032809
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
CID 122237338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone (CID 146675850) is 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone is O=C(CBr)c1cc(Cl)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ICRISDKNEBCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2ClF3O/c10-3-7(16)5-1-4(12)2-6(8(5)11)9(13,14)15/h1-2H,3H2.
What are the key properties of 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone?
2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 380.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 146675850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).