1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone

C9H6F4O2 — CID 171016157

IUPAC1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H6F4O2/c1-4(14)5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,15H,1H3
InChIKeyLDYNMCUFJUOEPL-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.75
Rot. Bonds1

About 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone

1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171016157) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171016157
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(O)cc1C(F)(F)F
InChIInChI=1S/C9H6F4O2/c1-4(14)5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,15H,1H3
InChIKeyLDYNMCUFJUOEPL-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171032554
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(2-amino-5-fluoro-4-hydroxyphenyl)ethanone
CID 131333607
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171027201
1-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanone
CID 84710170
1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 131369725
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
1-[2-fluoro-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 131350923

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone (CID 171016157) is 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(F)c(O)cc1C(F)(F)F.
What is the InChIKey of 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LDYNMCUFJUOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c1-4(14)5-2-7(10)8(15)3-6(5)9(11,12)13/h2-3,15H,1H3.
What are the key properties of 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 222.14 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171016157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).