2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone

C15H10BrF3O — CID 54412235

IUPAC2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccccc1)C(Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O/c16-13(14(20)11-4-2-1-3-5-11)10-6-8-12(9-7-10)15(17,18)19/h1-9,13H
InChIKeyVUYAGBXUODNNOQ-UHFFFAOYSA-N
MW343.14 g/mol
LogP5.02
Rot. Bonds3

About 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone

2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 54412235) has the molecular formula C15H10BrF3O and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID54412235
Molecular FormulaC15H10BrF3O
Molecular Weight343.14 g/mol
Exact Mass341.99
IUPAC Name2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccccc1)C(Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O/c16-13(14(20)11-4-2-1-3-5-11)10-6-8-12(9-7-10)15(17,18)19/h1-9,13H
InChIKeyVUYAGBXUODNNOQ-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.14
LogP ≤ 55.02
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-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
CID 129405100
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
CID 161391832
CID 161391832
2-bromo-1-(4-iodophenyl)-2-phenylethanone
CID 14067171
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
CID 126699875

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 54412235) is 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(c1ccccc1)C(Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VUYAGBXUODNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O/c16-13(14(20)11-4-2-1-3-5-11)10-6-8-12(9-7-10)15(17,18)19/h1-9,13H.
What are the key properties of 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 343.14 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 54412235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).