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

C9H8F3NO2 — CID 84684327

IUPAC2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-3-5(14)1-2-6(7)8(15)4-13/h1-3,14H,4,13H2
InChIKeyITKJBLRSVGKUTK-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.55
Rot. Bonds2

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

2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 84684327) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID84684327
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-3-5(14)1-2-6(7)8(15)4-13/h1-3,14H,4,13H2
InChIKeyITKJBLRSVGKUTK-UHFFFAOYSA-N
XLogP1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
benzyl 4-hydroxy-2-(trifluoromethyl)benzoate
CID 66761869
4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 59422031
2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
CID 83711359
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
CID 84668706
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone (CID 84684327) is 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone is NCC(=O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ITKJBLRSVGKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)7-3-5(14)1-2-6(7)8(15)4-13/h1-3,14H,4,13H2.
What are the key properties of 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone?
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 219.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 84684327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).