2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide

C8H12F4N2O — CID 103733776

IUPAC2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H12F4N2O/c1-14-3-2-5(4-14)13-7(15)8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyGRGVGOQWPCEGSF-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.71
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide

2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 103733776) has the molecular formula C8H12F4N2O and a molecular weight of 228.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID103733776
Molecular FormulaC8H12F4N2O
Molecular Weight228.19 g/mol
Exact Mass228.09
IUPAC Name2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H12F4N2O/c1-14-3-2-5(4-14)13-7(15)8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyGRGVGOQWPCEGSF-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide 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

2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733678
3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 103733980
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
CID 103805389

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide (CID 103733776) is 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(NC(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is GRGVGOQWPCEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O/c1-14-3-2-5(4-14)13-7(15)8(11,12)6(9)10/h5-6H,2-4H2,1H3,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 228.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 103733776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).