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

C9H14F3NO — CID 175567704

IUPAC4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine
SMILESC=COC1CCN(C(F)C(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-14-7-3-5-13(6-4-7)9(12)8(10)11/h2,7-9H,1,3-6H2
InChIKeyNKHUOTVHHZQORX-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.17
Rot. Bonds4

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

4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine (PubChem CID 175567704) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine
PubChem CID175567704
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine
SMILESC=COC1CCN(C(F)C(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-2-14-7-3-5-13(6-4-7)9(12)8(10)11/h2,7-9H,1,3-6H2
InChIKeyNKHUOTVHHZQORX-UHFFFAOYSA-N
XLogP2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine (CID 175567704) is 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine is C=COC1CCN(C(F)C(F)F)CC1.
What is the InChIKey of 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine?
The InChIKey is NKHUOTVHHZQORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-14-7-3-5-13(6-4-7)9(12)8(10)11/h2,7-9H,1,3-6H2.
What are the key properties of 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine?
4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine has a molecular weight of 209.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1-(1,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 175567704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).