2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid

C8H12F3NO3 — CID 107480926

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CN(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C8H12F3NO3/c1-6(7(14)15)4-12(2-3-13)5-8(9,10)11/h13H,1-5H2,(H,14,15)
InChIKeyVEKZYZOGPYLEMT-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.48
Rot. Bonds6

About 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid (PubChem CID 107480926) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid
PubChem CID107480926
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CN(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C8H12F3NO3/c1-6(7(14)15)4-12(2-3-13)5-8(9,10)11/h13H,1-5H2,(H,14,15)
InChIKeyVEKZYZOGPYLEMT-UHFFFAOYSA-N
XLogP0.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid 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 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid (CID 107480926) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid is C=C(CN(CCO)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid?
The InChIKey is VEKZYZOGPYLEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-6(7(14)15)4-12(2-3-13)5-8(9,10)11/h13H,1-5H2,(H,14,15).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid has a molecular weight of 227.18 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 107480926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).