4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine

C9H14F3NO — CID 167467568

IUPAC4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=COC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-14-8-3-5-13(6-4-8)7-9(10,11)12/h2,8H,1,3-7H2
InChIKeyAZFGMNUIZICRPE-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.17
Rot. Bonds3

About 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine

4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 167467568) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID167467568
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=COC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-14-8-3-5-13(6-4-8)7-9(10,11)12/h2,8H,1,3-7H2
InChIKeyAZFGMNUIZICRPE-UHFFFAOYSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine (CID 167467568) is 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine is C=COC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is AZFGMNUIZICRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-14-8-3-5-13(6-4-8)7-9(10,11)12/h2,8H,1,3-7H2.
What are the key properties of 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine?
4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 209.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 167467568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).