4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C11H19ClF3NO — CID 106838155

IUPAC4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC(Cl)C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H19ClF3NO/c1-9(12)10-2-4-16(5-3-10)6-7-17-8-11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyDUEGMJMPYSQVCJ-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.90
Rot. Bonds5

About 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 106838155) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID106838155
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESCC(Cl)C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H19ClF3NO/c1-9(12)10-2-4-16(5-3-10)6-7-17-8-11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyDUEGMJMPYSQVCJ-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 106838155) is 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is CC(Cl)C1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is DUEGMJMPYSQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-9(12)10-2-4-16(5-3-10)6-7-17-8-11(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 273.73 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 106838155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).