2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one

C12H15F2NO — CID 82048981

IUPAC2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO/c1-7(2)5-11(15)12(16)9-6-8(13)3-4-10(9)14/h3-4,6-7,11H,5,15H2,1-2H3
InChIKeyMCFKJLNFFJAYBL-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one

2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one (PubChem CID 82048981) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
PubChem CID82048981
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO/c1-7(2)5-11(15)12(16)9-6-8(13)3-4-10(9)14/h3-4,6-7,11H,5,15H2,1-2H3
InChIKeyMCFKJLNFFJAYBL-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-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

Related Compounds

2-amino-1-(2,5-difluorophenyl)-4-methylsulfonylbutan-1-one
CID 116551905
2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one
CID 116606859
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107514837
2-methylpropyl 2,5-difluorobenzoate
CID 74788614
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
4-methylpentyl 2,5-difluorobenzoate
CID 91716954
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone
CID 130986103
1-(2,5-difluorophenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458391
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
1-(2,5-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708756

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one (CID 82048981) is 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one is CC(C)CC(N)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one?
The InChIKey is MCFKJLNFFJAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(2)5-11(15)12(16)9-6-8(13)3-4-10(9)14/h3-4,6-7,11H,5,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one?
2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one is sourced from PubChem (CID 82048981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).