3-(trifluoromethoxymethyl)piperidine;hydrochloride

C7H13ClF3NO — CID 122652188

IUPAC3-(trifluoromethoxymethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)OCC1CCCNC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-5-6-2-1-3-11-4-6;/h6,11H,1-5H2;1H
InChIKeyMINHTJNMXZVZLL-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.94
Rot. Bonds2

About 3-(trifluoromethoxymethyl)piperidine;hydrochloride

3-(trifluoromethoxymethyl)piperidine;hydrochloride (PubChem CID 122652188) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 3-(trifluoromethoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethoxymethyl)piperidine;hydrochloride
PubChem CID122652188
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name3-(trifluoromethoxymethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)OCC1CCCNC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-5-6-2-1-3-11-4-6;/h6,11H,1-5H2;1H
InChIKeyMINHTJNMXZVZLL-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethoxymethyl)piperidine;hydrochloride 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 3-(trifluoromethoxymethyl)piperidine;hydrochloride?
The IUPAC name of 3-(trifluoromethoxymethyl)piperidine;hydrochloride (CID 122652188) is 3-(trifluoromethoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethoxymethyl)piperidine;hydrochloride is Cl.FC(F)(F)OCC1CCCNC1.
What is the InChIKey of 3-(trifluoromethoxymethyl)piperidine;hydrochloride?
The InChIKey is MINHTJNMXZVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-5-6-2-1-3-11-4-6;/h6,11H,1-5H2;1H.
What are the key properties of 3-(trifluoromethoxymethyl)piperidine;hydrochloride?
3-(trifluoromethoxymethyl)piperidine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 122652188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).