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

C5H10F3NO3 — CID 170159796

IUPAC1-methoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCOC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-3(4)5-2;3-2(4,5)1(6)7/h3H,4H2,1-2H3;(H,6,7)
InChIKeyPKMLPZGRBSRSGB-UHFFFAOYSA-N
MW189.13 g/mol
LogP0.57
Rot. Bonds1

About 1-methoxyethanamine;2,2,2-trifluoroacetic acid

1-methoxyethanamine;2,2,2-trifluoroacetic acid (PubChem CID 170159796) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is 1-methoxyethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methoxyethanamine;2,2,2-trifluoroacetic acid
PubChem CID170159796
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name1-methoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCOC(C)N.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-3(4)5-2;3-2(4,5)1(6)7/h3H,4H2,1-2H3;(H,6,7)
InChIKeyPKMLPZGRBSRSGB-UHFFFAOYSA-N
XLogP0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-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
1-Aminopropyl 2,2,2-trifluoroacetate
CID 56982459
2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
2-Methoxyethylammonium trifluoroacetate
CID 22623616
1-Aminoethyl 2,2,2-trifluoroacetate
CID 57450721
n-Propylammonium trifluoroacetate
CID 85782673
Acetic acid;2,2-difluoroethanamine
CID 87244303
(1-Amino-2,2-difluoroethyl) acetate
CID 87244304
1-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 87299528
2-aminoethyl acetate TFA-salt
CID 87308533
1-Aminoethyl 2,2,2-trifluoroacetate;azane
CID 87556327

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methoxyethanamine;2,2,2-trifluoroacetic acid (CID 170159796) is 1-methoxyethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methoxyethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methoxyethanamine;2,2,2-trifluoroacetic acid is COC(C)N.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methoxyethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is PKMLPZGRBSRSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF3O2/c1-3(4)5-2;3-2(4,5)1(6)7/h3H,4H2,1-2H3;(H,6,7).
What are the key properties of 1-methoxyethanamine;2,2,2-trifluoroacetic acid?
1-methoxyethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 189.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170159796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).