2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one

C13H15F2NO2 — CID 169100227

IUPAC2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one
SMILESCC1(O)CCCC(N)(c2cccc(F)c2F)C1=O
InChIInChI=1S/C13H15F2NO2/c1-12(18)6-3-7-13(16,11(12)17)8-4-2-5-9(14)10(8)15/h2,4-5,18H,3,6-7,16H2,1H3
InChIKeyXVMGWEUXKVAEHF-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one

2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one (PubChem CID 169100227) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one
PubChem CID169100227
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one
SMILESCC1(O)CCCC(N)(c2cccc(F)c2F)C1=O
InChIInChI=1S/C13H15F2NO2/c1-12(18)6-3-7-13(16,11(12)17)8-4-2-5-9(14)10(8)15/h2,4-5,18H,3,6-7,16H2,1H3
InChIKeyXVMGWEUXKVAEHF-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one 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 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one?
The IUPAC name of 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one (CID 169100227) is 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one is CC1(O)CCCC(N)(c2cccc(F)c2F)C1=O.
What is the InChIKey of 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one?
The InChIKey is XVMGWEUXKVAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-12(18)6-3-7-13(16,11(12)17)8-4-2-5-9(14)10(8)15/h2,4-5,18H,3,6-7,16H2,1H3.
What are the key properties of 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one?
2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one has a molecular weight of 255.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-difluorophenyl)-6-hydroxy-6-methylcyclohexan-1-one is sourced from PubChem (CID 169100227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).