2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C10H17ClF3NO — CID 63386563

IUPAC2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCCCC1CCl
InChIInChI=1S/C10H17ClF3NO/c11-7-9-3-1-2-4-15(9)5-6-16-8-10(12,13)14/h9H,1-8H2
InChIKeyUWNXKDOBNGOMQJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.66
Rot. Bonds5

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

2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 63386563) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID63386563
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCCCC1CCl
InChIInChI=1S/C10H17ClF3NO/c11-7-9-3-1-2-4-15(9)5-6-16-8-10(12,13)14/h9H,1-8H2
InChIKeyUWNXKDOBNGOMQJ-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.66
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 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 63386563) is 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is FC(F)(F)COCCN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is UWNXKDOBNGOMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c11-7-9-3-1-2-4-15(9)5-6-16-8-10(12,13)14/h9H,1-8H2.
What are the key properties of 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 259.70 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 63386563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).