2-(trifluoromethyl)piperidine;hydrochloride

C6H11ClF3N — CID 66570552

IUPAC2-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCCN1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h5,10H,1-4H2;1H
InChIKeyLUBQESPBTCELOM-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.11
Rot. Bonds

About 2-(trifluoromethyl)piperidine;hydrochloride

2-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 66570552) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine;hydrochloride
PubChem CID66570552
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name2-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CCCCN1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h5,10H,1-4H2;1H
InChIKeyLUBQESPBTCELOM-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)piperidine;hydrochloride (CID 66570552) is 2-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)piperidine;hydrochloride is Cl.FC(F)(F)C1CCCCN1.
What is the InChIKey of 2-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is LUBQESPBTCELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h5,10H,1-4H2;1H.
What are the key properties of 2-(trifluoromethyl)piperidine;hydrochloride?
2-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 66570552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).