3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride

C11H14ClF2N — CID 115039873

IUPAC3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(C2NCCCC2F)cc1
InChIInChI=1S/C11H13F2N.ClH/c12-9-5-3-8(4-6-9)11-10(13)2-1-7-14-11;/h3-6,10-11,14H,1-2,7H2;1H
InChIKeyKOTRDZPTGLOQQY-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.01
Rot. Bonds1

About 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride

3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride (PubChem CID 115039873) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
PubChem CID115039873
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(C2NCCCC2F)cc1
InChIInChI=1S/C11H13F2N.ClH/c12-9-5-3-8(4-6-9)11-10(13)2-1-7-14-11;/h3-6,10-11,14H,1-2,7H2;1H
InChIKeyKOTRDZPTGLOQQY-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride?
The IUPAC name of 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride (CID 115039873) is 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride.
What is the SMILES notation for 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride?
The canonical SMILES for 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride is Cl.Fc1ccc(C2NCCCC2F)cc1.
What is the InChIKey of 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride?
The InChIKey is KOTRDZPTGLOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c12-9-5-3-8(4-6-9)11-10(13)2-1-7-14-11;/h3-6,10-11,14H,1-2,7H2;1H.
What are the key properties of 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride?
3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 115039873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).