1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one

C10H8BrF3O — CID 117450989

IUPAC1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O/c1-6(15)5-7-8(10(12,13)14)3-2-4-9(7)11/h2-4H,5H2,1H3
InChIKeyFWZOGZYMOVHCKW-UHFFFAOYSA-N
MW281.07 g/mol
LogP3.60
Rot. Bonds2

About 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one

1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 117450989) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
PubChem CID117450989
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O/c1-6(15)5-7-8(10(12,13)14)3-2-4-9(7)11/h2-4H,5H2,1H3
InChIKeyFWZOGZYMOVHCKW-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-6-(chloromethyl)phenyl]propan-2-one
CID 118821090
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
CID 117114995
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
CID 134615503
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
1-[3-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131050773
1-bromo-2-(isocyanatomethyl)-3-(trifluoromethyl)benzene
CID 117449216
7-[2-fluoro-6-(trifluoromethyl)phenyl]heptane-2,5-dione
CID 22387504
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
CID 117478323

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one (CID 117450989) is 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one is CC(=O)Cc1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is FWZOGZYMOVHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c1-6(15)5-7-8(10(12,13)14)3-2-4-9(7)11/h2-4H,5H2,1H3.
What are the key properties of 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one?
1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 281.07 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 117450989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).