3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one

C13H17F2NO — CID 116611396

IUPAC3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)C(N)C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(16)11(17)7-8-6-9(14)4-5-10(8)15/h4-6,12H,7,16H2,1-3H3
InChIKeyFZBHZGFSEJBYCV-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one

3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one (PubChem CID 116611396) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one
PubChem CID116611396
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)C(N)C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(16)11(17)7-8-6-9(14)4-5-10(8)15/h4-6,12H,7,16H2,1-3H3
InChIKeyFZBHZGFSEJBYCV-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-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

3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611484
3-(2,5-difluorophenyl)-1,1-dimethoxypropan-2-one
CID 79493020
1-(2,5-difluorophenyl)-3-(methylamino)butan-2-one
CID 116564926
3-amino-1-(2-bromo-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611544
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
2-(2,5-difluorophenyl)acetamide
CID 21245498
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
1-(2,5-difluorophenyl)-3,3-dimethylpentan-2-one
CID 114964075
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one?
The IUPAC name of 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one (CID 116611396) is 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one is CC(C)(C)C(N)C(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one?
The InChIKey is FZBHZGFSEJBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(2,3)12(16)11(17)7-8-6-9(14)4-5-10(8)15/h4-6,12H,7,16H2,1-3H3.
What are the key properties of 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one?
3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one has a molecular weight of 241.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-difluorophenyl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 116611396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).