2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride

C7H11ClF5N — CID 155970663

IUPAC2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C1CCCCN1
InChIInChI=1S/C7H10F5N.ClH/c8-6(9,7(10,11)12)5-3-1-2-4-13-5;/h5,13H,1-4H2;1H
InChIKeyMIUMZHLFBBCLNP-UHFFFAOYSA-N
MW239.61 g/mol
LogP2.75
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride

2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride (PubChem CID 155970663) has the molecular formula C7H11ClF5N and a molecular weight of 239.61 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride
PubChem CID155970663
Molecular FormulaC7H11ClF5N
Molecular Weight239.61 g/mol
Exact Mass239.05
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C1CCCCN1
InChIInChI=1S/C7H10F5N.ClH/c8-6(9,7(10,11)12)5-3-1-2-4-13-5;/h5,13H,1-4H2;1H
InChIKeyMIUMZHLFBBCLNP-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride (CID 155970663) is 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride is Cl.FC(F)(F)C(F)(F)C1CCCCN1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride?
The InChIKey is MIUMZHLFBBCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5N.ClH/c8-6(9,7(10,11)12)5-3-1-2-4-13-5;/h5,13H,1-4H2;1H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride?
2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride has a molecular weight of 239.61 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)piperidine;hydrochloride is sourced from PubChem (CID 155970663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).