2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine

C10H18F3NO — CID 63084316

IUPAC2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
SMILESFC(F)(F)COCCCC1CCCCN1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-3-5-9-4-1-2-6-14-9/h9,14H,1-8H2
InChIKeyJAYVBZZHMRKEHQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine

2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine (PubChem CID 63084316) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
PubChem CID63084316
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
SMILESFC(F)(F)COCCCC1CCCCN1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-3-5-9-4-1-2-6-14-9/h9,14H,1-8H2
InChIKeyJAYVBZZHMRKEHQ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2,2,2-trifluoroethoxy)propyl]piperidine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine (CID 63084316) is 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine is FC(F)(F)COCCCC1CCCCN1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine?
The InChIKey is JAYVBZZHMRKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-3-5-9-4-1-2-6-14-9/h9,14H,1-8H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine?
2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine is sourced from PubChem (CID 63084316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).