2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide

C12H17F3N2O — CID 14025460

IUPAC2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
SMILESCC(C#CCN1CCCC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-10(16(2)11(18)12(13,14)15)6-5-9-17-7-3-4-8-17/h10H,3-4,7-9H2,1-2H3
InChIKeyUECJYWWGFQYNFJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.49
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide (PubChem CID 14025460) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
PubChem CID14025460
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
SMILESCC(C#CCN1CCCC1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-10(16(2)11(18)12(13,14)15)6-5-9-17-7-3-4-8-17/h10H,3-4,7-9H2,1-2H3
InChIKeyUECJYWWGFQYNFJ-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide 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

N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
CID 55005
1-[5-(Dimethylamino)pent-3-yn-2-yl]pyrrolidin-2-one
CID 12222506
N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
CID 14025465
2,2,2-trifluoro-1-[(2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 14730310
3-[(2R)-1-acetylpyrrolidin-2-yl]prop-2-ynyl-trimethylazanium
CID 15629549
N-methyl-N-[(2R)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide
CID 54584893
1-[(2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone
CID 15629539
2,2,2-trifluoro-1-[(2S)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 14730308
3-(1-Acetylpyrrolidin-2-yl)prop-2-ynyl-trimethylazanium iodide
CID 15629544
3-(1-Acetylpyrrolidin-2-yl)prop-2-ynyl-trimethylazanium
CID 15629545
3-[(2S)-1-acetylpyrrolidin-2-yl]prop-2-ynyl-trimethylazanium
CID 15629547
(s)-N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
CID 54392969

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide (CID 14025460) is 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide is CC(C#CCN1CCCC1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The InChIKey is UECJYWWGFQYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-10(16(2)11(18)12(13,14)15)6-5-9-17-7-3-4-8-17/h10H,3-4,7-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide is sourced from PubChem (CID 14025460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).