4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine

C9H16F3NO2 — CID 106937702

IUPAC4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine
SMILESFC(F)(F)COCOCC1CCNCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-7-14-5-8-1-3-13-4-2-8/h8,13H,1-7H2
InChIKeyNLYHXJWELSNFGW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.54
Rot. Bonds5

About 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine

4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine (PubChem CID 106937702) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine
PubChem CID106937702
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine
SMILESFC(F)(F)COCOCC1CCNCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)6-15-7-14-5-8-1-3-13-4-2-8/h8,13H,1-7H2
InChIKeyNLYHXJWELSNFGW-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine 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 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine (CID 106937702) is 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine is FC(F)(F)COCOCC1CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine?
The InChIKey is NLYHXJWELSNFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)6-15-7-14-5-8-1-3-13-4-2-8/h8,13H,1-7H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine?
4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine has a molecular weight of 227.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine is sourced from PubChem (CID 106937702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).