tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate

C17H21F3N2O2 — CID 141048401

IUPACtert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyGUGDKPKQPCSNCI-LLVKDONJSA-N
MW342.36 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate

tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate (PubChem CID 141048401) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
PubChem CID141048401
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Nametert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1
InChIKeyGUGDKPKQPCSNCI-LLVKDONJSA-N
XLogP4.75
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]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-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate (CID 141048401) is tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)n1ccc2ccc(C(F)(F)F)cc21.
What is the InChIKey of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
The InChIKey is GUGDKPKQPCSNCI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(10-21-15(23)24-16(2,3)4)22-8-7-12-5-6-13(9-14(12)22)17(18,19)20/h5-9,11H,10H2,1-4H3,(H,21,23)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate?
tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate is sourced from PubChem (CID 141048401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).