N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C6H6F6N2O2 — CID 174845848

IUPACN-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C6H6F6N2O2/c7-5(8,9)3(15)14(2-1-13)4(16)6(10,11)12/h1-2,13H2
InChIKeyWSOGQOOYOOCERH-UHFFFAOYSA-N
MW252.11 g/mol
LogP0.42
Rot. Bonds2

About N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 174845848) has the molecular formula C6H6F6N2O2 and a molecular weight of 252.11 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID174845848
Molecular FormulaC6H6F6N2O2
Molecular Weight252.11 g/mol
Exact Mass252.03
IUPAC NameN-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C6H6F6N2O2/c7-5(8,9)3(15)14(2-1-13)4(16)6(10,11)12/h1-2,13H2
InChIKeyWSOGQOOYOOCERH-UHFFFAOYSA-N
XLogP0.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide 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 N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 174845848) is N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is NCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is WSOGQOOYOOCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6N2O2/c7-5(8,9)3(15)14(2-1-13)4(16)6(10,11)12/h1-2,13H2.
What are the key properties of N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 252.11 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 174845848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).