2-(trifluoromethoxy)ethanamine

C3H6F3NO — CID 10558645

IUPAC2-(trifluoromethoxy)ethanamine
SMILESNCCOC(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2
InChIKeyIJAQSERNJJEFFD-UHFFFAOYSA-N
MW129.08 g/mol
LogP0.48
Rot. Bonds2

About 2-(trifluoromethoxy)ethanamine

2-(trifluoromethoxy)ethanamine (PubChem CID 10558645) has the molecular formula C3H6F3NO and a molecular weight of 129.08 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethanamine
PubChem CID10558645
Molecular FormulaC3H6F3NO
Molecular Weight129.08 g/mol
Exact Mass129.04
IUPAC Name2-(trifluoromethoxy)ethanamine
SMILESNCCOC(F)(F)F
InChIInChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2
InChIKeyIJAQSERNJJEFFD-UHFFFAOYSA-N
XLogP0.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethoxy)ethanamine 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
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
2-(2,2,2-Trifluoroethoxy)ethanamine hydrochloride
CID 17385258
2-(2,2,2-Trifluoroethoxy)ethylazanium
CID 2060296
2-(3,3,3-Trifluoropropoxy)ethanamine
CID 58684511
2-(2,2-Difluoroethoxy)ethan-1-amine
CID 58685066
1-(Difluoromethoxy)ethanamine
CID 84715995
2-(Fluoromethoxy)ethan-1-amine
CID 86014792
2-[Amino(difluoro)methoxy]ethanamine
CID 90445644

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethanamine?
The IUPAC name of 2-(trifluoromethoxy)ethanamine (CID 10558645) is 2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for 2-(trifluoromethoxy)ethanamine?
The canonical SMILES for 2-(trifluoromethoxy)ethanamine is NCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethanamine?
The InChIKey is IJAQSERNJJEFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO/c4-3(5,6)8-2-1-7/h1-2,7H2.
What are the key properties of 2-(trifluoromethoxy)ethanamine?
2-(trifluoromethoxy)ethanamine has a molecular weight of 129.08 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 10558645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).