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

C8H15F3N2O — CID 121203236

IUPAC3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOCC1(C(F)(F)F)CCN(N)C1
InChIInChI=1S/C8H15F3N2O/c1-2-14-6-7(8(9,10)11)3-4-13(12)5-7/h2-6,12H2,1H3
InChIKeyLJGNAMGKUSTMGX-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.15
Rot. Bonds3

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

3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine (PubChem CID 121203236) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
PubChem CID121203236
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine
SMILESCCOCC1(C(F)(F)F)CCN(N)C1
InChIInChI=1S/C8H15F3N2O/c1-2-14-6-7(8(9,10)11)3-4-13(12)5-7/h2-6,12H2,1H3
InChIKeyLJGNAMGKUSTMGX-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine?
The IUPAC name of 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine (CID 121203236) is 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine.
What is the SMILES notation for 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine?
The canonical SMILES for 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine is CCOCC1(C(F)(F)F)CCN(N)C1.
What is the InChIKey of 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine?
The InChIKey is LJGNAMGKUSTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-2-14-6-7(8(9,10)11)3-4-13(12)5-7/h2-6,12H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine?
3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine has a molecular weight of 212.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-(trifluoromethyl)pyrrolidin-1-amine is sourced from PubChem (CID 121203236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).