1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

C11H12BrFO2 — CID 62380678

IUPAC1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C11H12BrFO2/c1-11(2,3)10(15)7-4-6(13)5-8(12)9(7)14/h4-5,14H,1-3H3
InChIKeyLPEIUKHIMPPNEY-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.52
Rot. Bonds1

About 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one

1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 62380678) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID62380678
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C11H12BrFO2/c1-11(2,3)10(15)7-4-6(13)5-8(12)9(7)14/h4-5,14H,1-3H3
InChIKeyLPEIUKHIMPPNEY-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
CID 62381220
3-(3-bromo-5-fluoro-2-hydroxyphenyl)-3-methylbutanoic acid
CID 117470099
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
CID 107944461
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
1-(3-bromo-5-fluoro-2-iodophenyl)ethanone
CID 131366424
2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol
CID 130134190
2-(3-bromo-5-fluoro-2-methylphenyl)-2-oxoacetic acid
CID 117406309
1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 24724073
2,3-dibromo-5-fluorobenzamide
CID 119023969
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
1-(2,5-dibromothiophen-3-yl)-2,2-dimethylpropan-1-one
CID 43167377

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one (CID 62380678) is 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(F)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is LPEIUKHIMPPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-11(2,3)10(15)7-4-6(13)5-8(12)9(7)14/h4-5,14H,1-3H3.
What are the key properties of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one?
1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 275.12 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 62380678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).