2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

C9H16F3NO3 — CID 61490705

IUPAC2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCC(C)N(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-7(2)13(5-8(14)15)3-4-16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDBSYTTMOHPADEK-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds7

About 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (PubChem CID 61490705) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
PubChem CID61490705
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCC(C)N(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-7(2)13(5-8(14)15)3-4-16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDBSYTTMOHPADEK-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic 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-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (CID 61490705) is 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is CC(C)N(CCOCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The InChIKey is DBSYTTMOHPADEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2)13(5-8(14)15)3-4-16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61490705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).