4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine

C10H17ClF3NO2 — CID 82701810

IUPAC4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESFC(F)(F)OCCN1CCC(OCCCl)CC1
InChIInChI=1S/C10H17ClF3NO2/c11-3-7-16-9-1-4-15(5-2-9)6-8-17-10(12,13)14/h9H,1-8H2
InChIKeyOUECXMRGZNGAMQ-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.24
Rot. Bonds6

About 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine

4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine (PubChem CID 82701810) has the molecular formula C10H17ClF3NO2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine
PubChem CID82701810
Molecular FormulaC10H17ClF3NO2
Molecular Weight275.70 g/mol
Exact Mass275.09
IUPAC Name4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine
SMILESFC(F)(F)OCCN1CCC(OCCCl)CC1
InChIInChI=1S/C10H17ClF3NO2/c11-3-7-16-9-1-4-15(5-2-9)6-8-17-10(12,13)14/h9H,1-8H2
InChIKeyOUECXMRGZNGAMQ-UHFFFAOYSA-N
XLogP2.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine (CID 82701810) is 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine is FC(F)(F)OCCN1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine?
The InChIKey is OUECXMRGZNGAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2/c11-3-7-16-9-1-4-15(5-2-9)6-8-17-10(12,13)14/h9H,1-8H2.
What are the key properties of 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine?
4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine has a molecular weight of 275.70 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine is sourced from PubChem (CID 82701810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).