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

C12H20F3NO3 — CID 60911033

IUPACethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-19-11(17)10-3-5-16(6-4-10)7-8-18-9-12(13,14)15/h10H,2-9H2,1H3
InChIKeyQKSZATRLMOCVIS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.84
Rot. Bonds6

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

ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate (PubChem CID 60911033) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate
PubChem CID60911033
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-19-11(17)10-3-5-16(6-4-10)7-8-18-9-12(13,14)15/h10H,2-9H2,1H3
InChIKeyQKSZATRLMOCVIS-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate (CID 60911033) is ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate?
The InChIKey is QKSZATRLMOCVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-2-19-11(17)10-3-5-16(6-4-10)7-8-18-9-12(13,14)15/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60911033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).