(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C9H16F3NO — CID 29077849

IUPAC(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCC[C@H]1CCCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-4-8-3-1-2-5-13-8/h8,13H,1-7H2/t8-/m1/s1
InChIKeyLMDJCCVWUDRNOC-MRVPVSSYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 29077849) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID29077849
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCC[C@H]1CCCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-4-8-3-1-2-5-13-8/h8,13H,1-7H2/t8-/m1/s1
InChIKeyLMDJCCVWUDRNOC-MRVPVSSYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 29077849) is (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is FC(F)(F)COCC[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is LMDJCCVWUDRNOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-4-8-3-1-2-5-13-8/h8,13H,1-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 29077849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).