2-(2,2,2-trifluoroethoxy)ethylazanium

C4H9F3NO+ — CID 2060296

IUPAC2-(2,2,2-trifluoroethoxy)ethylazanium
SMILES[NH3+]CCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3-9-2-1-8/h1-3,8H2/p+1
InChIKeyUJKUXHKKBUXJMN-UHFFFAOYSA-O
MW144.12 g/mol
LogP-0.19
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)ethylazanium

2-(2,2,2-trifluoroethoxy)ethylazanium (PubChem CID 2060296) has the molecular formula C4H9F3NO+ and a molecular weight of 144.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethylazanium.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethylazanium
PubChem CID2060296
Molecular FormulaC4H9F3NO+
Molecular Weight144.12 g/mol
Exact Mass144.06
IUPAC Name2-(2,2,2-trifluoroethoxy)ethylazanium
SMILES[NH3+]CCOCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3-9-2-1-8/h1-3,8H2/p+1
InChIKeyUJKUXHKKBUXJMN-UHFFFAOYSA-O
XLogP-0.19
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2,2-trifluoroethoxy)ethylazanium 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

2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
2-(Trifluoromethoxy)ethan-1-amine hydrochloride
CID 44890807
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(2,2-Difluorocyclopropoxy)ethan-1-amine
CID 121207600
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
1-(Ethoxymethyl)-2,2,2-trifluoroethylamin
CID 64981755
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
2-(Trifluoromethoxy)ethanamine
CID 10558645
2-(2,2,2-Trifluoroethoxy)ethanamine hydrochloride
CID 17385258
1-(2,2,2-Trifluoroethoxy)propan-2-amine hydrochloride
CID 47002333

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethylazanium?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethylazanium (CID 2060296) is 2-(2,2,2-trifluoroethoxy)ethylazanium.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethylazanium?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethylazanium is [NH3+]CCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethylazanium?
The InChIKey is UJKUXHKKBUXJMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)3-9-2-1-8/h1-3,8H2/p+1.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethylazanium?
2-(2,2,2-trifluoroethoxy)ethylazanium has a molecular weight of 144.12 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethylazanium is sourced from PubChem (CID 2060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).