2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide

C12H21F3N2O2 — CID 106975249

IUPAC2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCOCC(F)(F)F)CCCN1
InChIInChI=1S/C12H21F3N2O2/c1-2-4-11(5-3-6-17-11)10(18)16-7-8-19-9-12(13,14)15/h17H,2-9H2,1H3,(H,16,18)
InChIKeyIJOZJMGYCBIFDT-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds7

About 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide

2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 106975249) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID106975249
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCOCC(F)(F)F)CCCN1
InChIInChI=1S/C12H21F3N2O2/c1-2-4-11(5-3-6-17-11)10(18)16-7-8-19-9-12(13,14)15/h17H,2-9H2,1H3,(H,16,18)
InChIKeyIJOZJMGYCBIFDT-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide (CID 106975249) is 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide is CCCC1(C(=O)NCCOCC(F)(F)F)CCCN1.
What is the InChIKey of 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is IJOZJMGYCBIFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-4-11(5-3-6-17-11)10(18)16-7-8-19-9-12(13,14)15/h17H,2-9H2,1H3,(H,16,18).
What are the key properties of 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106975249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).