2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine

C10H19F3N2O — CID 64581215

IUPAC2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine
SMILESCOCC1CCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-9-2-4-15(6-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyAUSPWWYECKAQAY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine (PubChem CID 64581215) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine
PubChem CID64581215
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine
SMILESCOCC1CCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-9-2-4-15(6-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyAUSPWWYECKAQAY-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine 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 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine (CID 64581215) is 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine is COCC1CCN(CCNCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine?
The InChIKey is AUSPWWYECKAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-9-2-4-15(6-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine is sourced from PubChem (CID 64581215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).