1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one

C9H15F2NO — CID 126993688

IUPAC1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESCC1(C)CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-8(2)4-5-12(6-8)7(13)9(3,10)11/h4-6H2,1-3H3
InChIKeyQZROFFHGDSSBNS-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.90
Rot. Bonds1

About 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one

1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one (PubChem CID 126993688) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
PubChem CID126993688
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESCC1(C)CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-8(2)4-5-12(6-8)7(13)9(3,10)11/h4-6H2,1-3H3
InChIKeyQZROFFHGDSSBNS-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-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-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
2-bromo-1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 114328908
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
CID 118447947
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2,2,2-trifluoroethyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 79039797
2-amino-1-(4,4-dimethylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812146
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 113241011
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 135039672
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one (CID 126993688) is 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one is CC1(C)CCN(C(=O)C(C)(F)F)C1.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The InChIKey is QZROFFHGDSSBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-8(2)4-5-12(6-8)7(13)9(3,10)11/h4-6H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one has a molecular weight of 191.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 126993688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).