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

C8H15F3N2O — CID 129497380

IUPAC(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOC[C@@H]1CN(N)C[C@H]1C(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/t6-,7+/m0/s1
InChIKeyGOTAWUVBJQBUSU-NKWVEPMBSA-N
MW212.21 g/mol
LogP1.01
Rot. Bonds3

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

(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 129497380) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID129497380
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOC[C@@H]1CN(N)C[C@H]1C(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/t6-,7+/m0/s1
InChIKeyGOTAWUVBJQBUSU-NKWVEPMBSA-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 (3S,4S)-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 (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine (CID 129497380) is (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine is CCOC[C@@H]1CN(N)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is GOTAWUVBJQBUSU-NKWVEPMBSA-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/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine?
(3S,4S)-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 (3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 129497380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).