2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one

C9H15F2NO2 — CID 130804994

IUPAC2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC(F)(F)C(=O)N1CC(O)C(C)(C)C1
InChIInChI=1S/C9H15F2NO2/c1-8(2)5-12(4-6(8)13)7(14)9(3,10)11/h6,13H,4-5H2,1-3H3
InChIKeyIBYMMDSWLVMCML-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.87
Rot. Bonds1

About 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one

2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 130804994) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one
PubChem CID130804994
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC(F)(F)C(=O)N1CC(O)C(C)(C)C1
InChIInChI=1S/C9H15F2NO2/c1-8(2)5-12(4-6(8)13)7(14)9(3,10)11/h6,13H,4-5H2,1-3H3
InChIKeyIBYMMDSWLVMCML-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-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

1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 72002115
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
2,2,2-Trifluoro-1-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanone
CID 59898862
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 60342336
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
Cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556916
cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556917
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
CID 122536246
1-[(3R,4R)-3-fluoro-4-hydroxy-pyrrolidin-1-yl]ethanone
CID 122536254

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one (CID 130804994) is 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one is CC(F)(F)C(=O)N1CC(O)C(C)(C)C1.
What is the InChIKey of 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is IBYMMDSWLVMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-8(2)5-12(4-6(8)13)7(14)9(3,10)11/h6,13H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one?
2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 207.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 130804994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).