2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C9H13F3N2O2 — CID 86102547

IUPAC2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C1CCCN1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)13-4-2-6-14-5-1-3-7(14)15/h1-6H2,(H,13,16)
InChIKeyAXJCOPKYAPZCJE-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.68
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 86102547) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID86102547
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C1CCCN1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)13-4-2-6-14-5-1-3-7(14)15/h1-6H2,(H,13,16)
InChIKeyAXJCOPKYAPZCJE-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
2-Oxo-1-pyrrolidinebutyramide
CID 294855
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
3,3-Difluoropyrrolidin-2-one
CID 45092489
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
4,4-Difluoropyrrolidin-2-one
CID 68769558
Spermidine, N,N',N''-tris(heptafluorobutyryl)-
CID 91736167
2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
CID 9167275
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
1-[3-(2,5-Dioxopyrrolidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 72140529

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 86102547) is 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C1CCCN1CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is AXJCOPKYAPZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)13-4-2-6-14-5-1-3-7(14)15/h1-6H2,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 238.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 86102547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).