3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 63827769

IUPAC3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-9(2-3-14-6-9)8(16)15-4-5-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyAICDGERLGPLMBN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63827769) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
PubChem CID63827769
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-9(2-3-14-6-9)8(16)15-4-5-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyAICDGERLGPLMBN-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-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 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide (CID 63827769) is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide is CC1(C(=O)NCCOCC(F)(F)F)CCNC1.
What is the InChIKey of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is AICDGERLGPLMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2-3-14-6-9)8(16)15-4-5-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63827769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).