2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one

C12H15F2NO2 — CID 59153427

IUPAC2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one
SMILESNC(COC(F)F)C(=O)CCc1ccccc1
InChIInChI=1S/C12H15F2NO2/c13-12(14)17-8-10(15)11(16)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,15H2
InChIKeyOIYZWONGHDECBO-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.75
Rot. Bonds7

About 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one

2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one (PubChem CID 59153427) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one.

Molecular Properties

Compound Name2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one
PubChem CID59153427
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one
SMILESNC(COC(F)F)C(=O)CCc1ccccc1
InChIInChI=1S/C12H15F2NO2/c13-12(14)17-8-10(15)11(16)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,15H2
InChIKeyOIYZWONGHDECBO-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-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-1-(difluoromethoxy)-5-phenylpentan-3-one?
The IUPAC name of 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one (CID 59153427) is 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one.
What is the SMILES notation for 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one?
The canonical SMILES for 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one is NC(COC(F)F)C(=O)CCc1ccccc1.
What is the InChIKey of 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one?
The InChIKey is OIYZWONGHDECBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-12(14)17-8-10(15)11(16)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,15H2.
What are the key properties of 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one?
2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one has a molecular weight of 243.25 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(difluoromethoxy)-5-phenylpentan-3-one is sourced from PubChem (CID 59153427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).