3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C11H21F3N2O — CID 62991559

IUPAC3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESFC(F)(F)COCCNCCCN1CCCC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10-17-9-5-15-4-3-8-16-6-1-2-7-16/h15H,1-10H2
InChIKeyRJHUIIRKKXWLSV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds8

About 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 62991559) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID62991559
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESFC(F)(F)COCCNCCCN1CCCC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10-17-9-5-15-4-3-8-16-6-1-2-7-16/h15H,1-10H2
InChIKeyRJHUIIRKKXWLSV-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 62991559) is 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is FC(F)(F)COCCNCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is RJHUIIRKKXWLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10-17-9-5-15-4-3-8-16-6-1-2-7-16/h15H,1-10H2.
What are the key properties of 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62991559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).