[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride

C7H14ClF3N2O2 — CID 90374796

IUPAC[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(O)NC(=O)C(F)(F)F.[Cl-]
InChIInChI=1S/C7H13F3N2O2.ClH/c1-12(2,3)4-5(13)11-6(14)7(8,9)10;/h5,13H,4H2,1-3H3;1H
InChIKeyCKKFGIOQVWQKMB-UHFFFAOYSA-N
MW250.65 g/mol
LogP-3.31
Rot. Bonds3

About [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride

[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride (PubChem CID 90374796) has the molecular formula C7H14ClF3N2O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride
PubChem CID90374796
Molecular FormulaC7H14ClF3N2O2
Molecular Weight250.65 g/mol
Exact Mass250.07
IUPAC Name[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(O)NC(=O)C(F)(F)F.[Cl-]
InChIInChI=1S/C7H13F3N2O2.ClH/c1-12(2,3)4-5(13)11-6(14)7(8,9)10;/h5,13H,4H2,1-3H3;1H
InChIKeyCKKFGIOQVWQKMB-UHFFFAOYSA-N
XLogP-3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride 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-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride?
The IUPAC name of [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride (CID 90374796) is [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride?
The canonical SMILES for [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride is C[N+](C)(C)CC(O)NC(=O)C(F)(F)F.[Cl-].
What is the InChIKey of [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride?
The InChIKey is CKKFGIOQVWQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2.ClH/c1-12(2,3)4-5(13)11-6(14)7(8,9)10;/h5,13H,4H2,1-3H3;1H.
What are the key properties of [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride?
[2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride has a molecular weight of 250.65 g/mol, XLogP of -3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride is sourced from PubChem (CID 90374796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).