4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine

C13H16F3NO2 — CID 67168614

IUPAC4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
SMILESFC(F)(F)COc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-18-11-2-1-3-12(8-11)19-10-4-6-17-7-5-10/h1-3,8,10,17H,4-7,9H2
InChIKeyMNRIYCSWWKSBCH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.76
Rot. Bonds4

About 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine

4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine (PubChem CID 67168614) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
PubChem CID67168614
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
SMILESFC(F)(F)COc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-18-11-2-1-3-12(8-11)19-10-4-6-17-7-5-10/h1-3,8,10,17H,4-7,9H2
InChIKeyMNRIYCSWWKSBCH-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine (CID 67168614) is 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine is FC(F)(F)COc1cccc(OC2CCNCC2)c1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine?
The InChIKey is MNRIYCSWWKSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)9-18-11-2-1-3-12(8-11)19-10-4-6-17-7-5-10/h1-3,8,10,17H,4-7,9H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine?
4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine has a molecular weight of 275.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine is sourced from PubChem (CID 67168614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).