1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one

C8H14F2N2O — CID 130934837

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESCC1CN(C(=O)C(C)(F)F)CC1N
InChIInChI=1S/C8H14F2N2O/c1-5-3-12(4-6(5)11)7(13)8(2,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyTXTXEXNPWPZVCW-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.45
Rot. Bonds1

About 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one

1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one (PubChem CID 130934837) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
PubChem CID130934837
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESCC1CN(C(=O)C(C)(F)F)CC1N
InChIInChI=1S/C8H14F2N2O/c1-5-3-12(4-6(5)11)7(13)8(2,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyTXTXEXNPWPZVCW-UHFFFAOYSA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-amino-4-methylpyrrolidin-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-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 130667579
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,2-difluoropropan-1-one
CID 130815525
1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 130561860
1-[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 165448432
3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 103576202
1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
CID 103575919
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one (CID 130934837) is 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one is CC1CN(C(=O)C(C)(F)F)CC1N.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The InChIKey is TXTXEXNPWPZVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-5-3-12(4-6(5)11)7(13)8(2,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one?
1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one has a molecular weight of 192.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 130934837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).