1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone

C8H8FNO2 — CID 171017806

IUPAC1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(N)ccc(F)c1O
InChIInChI=1S/C8H8FNO2/c1-4(11)7-6(10)3-2-5(9)8(7)12/h2-3,12H,10H2,1H3
InChIKeyBMUAZMOZZAIIBP-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.32
Rot. Bonds1

About 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone

1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 171017806) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
PubChem CID171017806
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(N)ccc(F)c1O
InChIInChI=1S/C8H8FNO2/c1-4(11)7-6(10)3-2-5(9)8(7)12/h2-3,12H,10H2,1H3
InChIKeyBMUAZMOZZAIIBP-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-[6-amino-2-hydroxy-3-(trifluoromethyl)phenyl]ethanone
CID 171027226
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
3-amino-6-fluorophthalic acid
CID 142417413
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
1-(3-acetyl-4-amino-2-methylsulfanylphenyl)ethanone
CID 67659453
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 117280590
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
CID 131324658
1-(2-bromo-4-fluoro-3-hydroxyphenyl)ethanone
CID 118995933
1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 84795792

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone (CID 171017806) is 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone is CC(=O)c1c(N)ccc(F)c1O.
What is the InChIKey of 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is BMUAZMOZZAIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-4(11)7-6(10)3-2-5(9)8(7)12/h2-3,12H,10H2,1H3.
What are the key properties of 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone?
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 169.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 171017806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).