2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H19F3N2O — CID 62642519

IUPAC2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCN1CCCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-14-3-7-15-5-1-2-6-15/h14H,1-9H2
InChIKeyCJEDGRIKBDXABP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds7

About 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 62642519) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID62642519
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCN1CCCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-14-3-7-15-5-1-2-6-15/h14H,1-9H2
InChIKeyCJEDGRIKBDXABP-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
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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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82889118
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-pyrrolidin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615541
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 115513697
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 62642519) is 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is CJEDGRIKBDXABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-14-3-7-15-5-1-2-6-15/h14H,1-9H2.
What are the key properties of 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 62642519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).