2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide

HCID 537575

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(NC1CCNC1)C(F)(F)F
InChIKey: MWYCOIQCRXURNA-UHFFFAOYSA-N
Molecular formula: C6H9F3N2O
Average molar mass: 182.14 g/mol
Monoisotopic mass: 182.0666974

Names & identifiers

Preferred name: 2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide
IUPAC: 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide

Names & synonyms

2,2,2-TRIFLUORO-N-(PYRROLIDIN-3-YL)ACETAMIDE3-trifluoroacetylaminopyrrolidine2,2,2-Trifluoro-N-pyrrolidin-3-yl-acetamideSCHEMBL1029383SCHEMBL1490113AKOS0091588833-(2,2,2-trifluoroacetylamino)pyrrolidineCS-0205027

Database identifiers

PubChem CID: 537575
Nikkaji: J209.063E

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 180

Related reactions

9 records

New reaction record

HRID 199192As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 206334As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 694992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 851091As reactantuspto-grants-1983_05

HRID 938112As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1138093As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1949450As reactantuspto-grants-2013_03

HRID 2053995As reactantuspto-grants-2008_02

Compound notes

Loading…