3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine

C13H23F3N2O — CID 66273222

IUPAC3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)COCCN1CCCC1C1CCCNC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-4-12(18)11-3-1-5-17-9-11/h11-12,17H,1-10H2
InChIKeyIHABLOLOGDLERA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds5

About 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine

3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine (PubChem CID 66273222) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine
PubChem CID66273222
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)COCCN1CCCC1C1CCCNC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-4-12(18)11-3-1-5-17-9-11/h11-12,17H,1-10H2
InChIKeyIHABLOLOGDLERA-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
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-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine (CID 66273222) is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine is FC(F)(F)COCCN1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine?
The InChIKey is IHABLOLOGDLERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-4-12(18)11-3-1-5-17-9-11/h11-12,17H,1-10H2.
What are the key properties of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine?
3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66273222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).