tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate

C16H23F3N2O2 — CID 134850278

IUPACtert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N2O2/c1-5-11(10-20-14(22)23-15(2,3)4)9-12-7-6-8-13(21-12)16(17,18)19/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)
InChIKeyYGUOXUNAXMXAGA-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate

tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate (PubChem CID 134850278) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate
PubChem CID134850278
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Nametert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N2O2/c1-5-11(10-20-14(22)23-15(2,3)4)9-12-7-6-8-13(21-12)16(17,18)19/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)
InChIKeyYGUOXUNAXMXAGA-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]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-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate (CID 134850278) is tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate?
The InChIKey is YGUOXUNAXMXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-5-11(10-20-14(22)23-15(2,3)4)9-12-7-6-8-13(21-12)16(17,18)19/h6-8,11H,5,9-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate?
tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate has a molecular weight of 332.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]butyl]carbamate is sourced from PubChem (CID 134850278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).