1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone

C9H10FNO2 — CID 171018286

IUPAC1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
SMILESCOc1cc(N)cc(F)c1C(C)=O
InChIInChI=1S/C9H10FNO2/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3
InChIKeyMLKXFTQTSXSLGC-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone

1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone (PubChem CID 171018286) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
PubChem CID171018286
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
SMILESCOc1cc(N)cc(F)c1C(C)=O
InChIInChI=1S/C9H10FNO2/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3
InChIKeyMLKXFTQTSXSLGC-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-fluoro-6-methoxyphenyl)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-[4-amino-2-(difluoromethoxy)-6-fluorophenyl]ethanone
CID 131295418
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157
CID 158943354
CID 158943354
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
CID 131332595
3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
CID 84783757

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone (CID 171018286) is 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone is COc1cc(N)cc(F)c1C(C)=O.
What is the InChIKey of 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone?
The InChIKey is MLKXFTQTSXSLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3.
What are the key properties of 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone?
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone has a molecular weight of 183.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone is sourced from PubChem (CID 171018286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).