tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate

C14H24F3N3O3 — CID 138498658

IUPACtert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24F3N3O3/c1-5-9-6-20(11(21)18-8-14(15,16)17)7-10(9)19-12(22)23-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,18,21)(H,19,22)
InChIKeySXXBHOXORPELRE-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate (PubChem CID 138498658) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate
PubChem CID138498658
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Nametert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24F3N3O3/c1-5-9-6-20(11(21)18-8-14(15,16)17)7-10(9)19-12(22)23-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,18,21)(H,19,22)
InChIKeySXXBHOXORPELRE-UHFFFAOYSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate 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 tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate (CID 138498658) is tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate is CCC1CN(C(=O)NCC(F)(F)F)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is SXXBHOXORPELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3/c1-5-9-6-20(11(21)18-8-14(15,16)17)7-10(9)19-12(22)23-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 339.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 138498658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).