2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid

C11H20F3NO2 — CID 55055361

IUPAC2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
SMILESCCN(CC(F)(F)F)CC(CC)(CC)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-10(5-2,9(16)17)7-15(6-3)8-11(12,13)14/h4-8H2,1-3H3,(H,16,17)
InChIKeyOAWOANYMLQXUTO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.76
Rot. Bonds7

About 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid

2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid (PubChem CID 55055361) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
PubChem CID55055361
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
SMILESCCN(CC(F)(F)F)CC(CC)(CC)C(=O)O
InChIInChI=1S/C11H20F3NO2/c1-4-10(5-2,9(16)17)7-15(6-3)8-11(12,13)14/h4-8H2,1-3H3,(H,16,17)
InChIKeyOAWOANYMLQXUTO-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,3-Dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
CID 123970249
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
CID 55055409
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055456
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 55055457
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butanoic acid
CID 55142133
3-(4,4-Diethylpiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55158920
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62270138
2-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271024
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271211
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 62271212
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 62271396
2-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271766

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid (CID 55055361) is 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid is CCN(CC(F)(F)F)CC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
The InChIKey is OAWOANYMLQXUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-10(5-2,9(16)17)7-15(6-3)8-11(12,13)14/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid?
2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid is sourced from PubChem (CID 55055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).