1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone

C9H8F3NO2 — CID 171027226

IUPAC1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(N)ccc(C(F)(F)F)c1O
InChIInChI=1S/C9H8F3NO2/c1-4(14)7-6(13)3-2-5(8(7)15)9(10,11)12/h2-3,15H,13H2,1H3
InChIKeyPSMHTLGRNGKXSX-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.20
Rot. Bonds1

About 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone

1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 171027226) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
PubChem CID171027226
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(N)ccc(C(F)(F)F)c1O
InChIInChI=1S/C9H8F3NO2/c1-4(14)7-6(13)3-2-5(8(7)15)9(10,11)12/h2-3,15H,13H2,1H3
InChIKeyPSMHTLGRNGKXSX-UHFFFAOYSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
1-[6-amino-2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034031
3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
CID 58736589
1-[3-amino-2-(difluoromethoxy)-6-(trifluoromethyl)phenyl]ethanone
CID 171034021
2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
CID 134639153
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-[3-hydroxy-2-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171025509
1-[2-amino-6-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034018
2-amino-6-(trifluoromethyl)phenol
CID 22272746
1-[2-fluoro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171012571
1-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]ethanone
CID 131465353
1-[3-hydroxy-2-nitro-4-(trifluoromethyl)phenyl]ethanone
CID 171027597

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone (CID 171027226) is 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone is CC(=O)c1c(N)ccc(C(F)(F)F)c1O.
What is the InChIKey of 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PSMHTLGRNGKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4(14)7-6(13)3-2-5(8(7)15)9(10,11)12/h2-3,15H,13H2,1H3.
What are the key properties of 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone?
1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 219.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171027226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).