2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine

C12H22F3NO2 — CID 62343995

IUPAC2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine
SMILESFC(F)(F)COCCCOCCC1CCCCN1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-3-7-17-9-5-11-4-1-2-6-16-11/h11,16H,1-10H2
InChIKeyGYRIINJQVOCUEA-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds8

About 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine

2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine (PubChem CID 62343995) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine
PubChem CID62343995
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine
SMILESFC(F)(F)COCCCOCCC1CCCCN1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-3-7-17-9-5-11-4-1-2-6-16-11/h11,16H,1-10H2
InChIKeyGYRIINJQVOCUEA-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
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 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine (CID 62343995) is 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine is FC(F)(F)COCCCOCCC1CCCCN1.
What is the InChIKey of 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine?
The InChIKey is GYRIINJQVOCUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-3-7-17-9-5-11-4-1-2-6-16-11/h11,16H,1-10H2.
What are the key properties of 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine?
2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]piperidine is sourced from PubChem (CID 62343995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).