2-methoxyethanamine;2,2,2-trifluoroacetic acid

C5H10F3NO3 — CID 22623616

IUPAC2-methoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-5-3-2-4;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7)
InChIKeyXOAWWBABFGHVTL-UHFFFAOYSA-N
MW189.13 g/mol
LogP0.22
Rot. Bonds2

About 2-methoxyethanamine;2,2,2-trifluoroacetic acid

2-methoxyethanamine;2,2,2-trifluoroacetic acid (PubChem CID 22623616) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is 2-methoxyethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxyethanamine;2,2,2-trifluoroacetic acid
PubChem CID22623616
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name2-methoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-5-3-2-4;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7)
InChIKeyXOAWWBABFGHVTL-UHFFFAOYSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxyethanamine;2,2,2-trifluoroacetic acid 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

Ethylamine Trifluoroacetate
CID 86017709
2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
Ethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 12484434
2-Aminoethyl 2,2,2-trifluoroacetate
CID 13307729
2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 23087526
Methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 86051830
(2-Ethoxy-1-methylethyl)amine trifluoroacetic acid salt
CID 86631164
Acetic acid;2,2-difluoroethanamine
CID 87244303
1-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 87299528
2-aminoethyl acetate TFA-salt
CID 87308533
2-(Sulfanylamino)ethanol;2,2,2-trifluoroacetic acid
CID 87521805

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxyethanamine;2,2,2-trifluoroacetic acid (CID 22623616) is 2-methoxyethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxyethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxyethanamine;2,2,2-trifluoroacetic acid is COCCN.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxyethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is XOAWWBABFGHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF3O2/c1-5-3-2-4;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7).
What are the key properties of 2-methoxyethanamine;2,2,2-trifluoroacetic acid?
2-methoxyethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 189.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).