4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid

C8H14F3NO3 — CID 103864928

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6-12(4-5-13)3-1-2-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyFPMISVNEGWFLTG-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.71
Rot. Bonds7

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 103864928) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID103864928
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6-12(4-5-13)3-1-2-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyFPMISVNEGWFLTG-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 103864928) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid is O=C(O)CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is FPMISVNEGWFLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c9-8(10,11)6-12(4-5-13)3-1-2-7(14)15/h13H,1-6H2,(H,14,15).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 103864928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).