8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C11H13ClFNO — CID 155895211

IUPAC8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCc1c(F)cc(N)c2c1CCCC2=O.Cl
InChIInChI=1S/C11H12FNO.ClH/c1-6-7-3-2-4-10(14)11(7)9(13)5-8(6)12;/h5H,2-4,13H2,1H3;1H
InChIKeyZZKMSKRREQZCDF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.66
Rot. Bonds

About 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 155895211) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID155895211
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCc1c(F)cc(N)c2c1CCCC2=O.Cl
InChIInChI=1S/C11H12FNO.ClH/c1-6-7-3-2-4-10(14)11(7)9(13)5-8(6)12;/h5H,2-4,13H2,1H3;1H
InChIKeyZZKMSKRREQZCDF-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 155895211) is 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is Cc1c(F)cc(N)c2c1CCCC2=O.Cl.
What is the InChIKey of 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is ZZKMSKRREQZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO.ClH/c1-6-7-3-2-4-10(14)11(7)9(13)5-8(6)12;/h5H,2-4,13H2,1H3;1H.
What are the key properties of 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 229.68 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 155895211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).