3-(trifluoromethyl)piperidine;hydrochloride

C6H11ClF3N — CID 68566404

IUPAC3-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCNC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-2-1-3-10-4-5;/h5,10H,1-4H2;1H
InChIKeyHMFJYLYZLJHSIF-UHFFFAOYSA-N
MW189.61 g/mol
LogP1.97
Rot. Bonds

About 3-(trifluoromethyl)piperidine;hydrochloride

3-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 68566404) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidine;hydrochloride
PubChem CID68566404
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name3-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCNC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-2-1-3-10-4-5;/h5,10H,1-4H2;1H
InChIKeyHMFJYLYZLJHSIF-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)piperidine;hydrochloride (CID 68566404) is 3-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)piperidine;hydrochloride is Cl.FC(F)(F)C1CCCNC1.
What is the InChIKey of 3-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is HMFJYLYZLJHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-2-1-3-10-4-5;/h5,10H,1-4H2;1H.
What are the key properties of 3-(trifluoromethyl)piperidine;hydrochloride?
3-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 68566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).