3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine

C8H15F3N2O — CID 121202702

IUPAC3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOCC1CN(N)CC1C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-14-5-6-3-13(12)4-7(6)8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyGOTAWUVBJQBUSU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.01
Rot. Bonds3

About 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine

3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 121202702) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID121202702
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOCC1CN(N)CC1C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-14-5-6-3-13(12)4-7(6)8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyGOTAWUVBJQBUSU-UHFFFAOYSA-N
XLogP1.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine 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 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine (CID 121202702) is 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine is CCOCC1CN(N)CC1C(F)(F)F.
What is the InChIKey of 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is GOTAWUVBJQBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-2-14-5-6-3-13(12)4-7(6)8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 212.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 121202702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).