3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C13H23F3N2O — CID 156532230

IUPAC3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19)
InChIKeyVZFAHEXCQRGADA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.26
Rot. Bonds2

About 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 156532230) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID156532230
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C
InChIInChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19)
InChIKeyVZFAHEXCQRGADA-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-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-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 156532230) is 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCC1CN(C(=O)NCC(F)(F)F)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is VZFAHEXCQRGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-5-9-6-18(7-10(9)12(2,3)4)11(19)17-8-13(14,15)16/h9-10H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 156532230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).