1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one

C10H8BrF3O2 — CID 117478323

IUPAC1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Br)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O2/c1-5(15)2-6-3-8(11)9(16)4-7(6)10(12,13)14/h3-4,16H,2H2,1H3
InChIKeyRYSRXJUJYMKTIO-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.31
Rot. Bonds2

About 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one

1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 117478323) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID117478323
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Br)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O2/c1-5(15)2-6-3-8(11)9(16)4-7(6)10(12,13)14/h3-4,16H,2H2,1H3
InChIKeyRYSRXJUJYMKTIO-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
CID 117450989
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269
1-[2,5-dibromo-4-(trifluoromethyl)phenyl]ethanone
CID 171005665
1-(3-bromo-2,4,5-trifluorophenyl)propan-2-one
CID 117115023

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one (CID 117478323) is 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one is CC(=O)Cc1cc(Br)c(O)cc1C(F)(F)F.
What is the InChIKey of 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is RYSRXJUJYMKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c1-5(15)2-6-3-8(11)9(16)4-7(6)10(12,13)14/h3-4,16H,2H2,1H3.
What are the key properties of 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one?
1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 297.07 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 117478323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).