3-(difluoromethyl)piperidine;hydrochloride

C6H12ClF2N — CID 53346561

IUPAC3-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCCNC1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H
InChIKeyDCSDOLONHQYNBB-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.67
Rot. Bonds1

About 3-(difluoromethyl)piperidine;hydrochloride

3-(difluoromethyl)piperidine;hydrochloride (PubChem CID 53346561) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 3-(difluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)piperidine;hydrochloride
PubChem CID53346561
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name3-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCCNC1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H
InChIKeyDCSDOLONHQYNBB-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)piperidine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)piperidine;hydrochloride (CID 53346561) is 3-(difluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)piperidine;hydrochloride is Cl.FC(F)C1CCCNC1.
What is the InChIKey of 3-(difluoromethyl)piperidine;hydrochloride?
The InChIKey is DCSDOLONHQYNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H.
What are the key properties of 3-(difluoromethyl)piperidine;hydrochloride?
3-(difluoromethyl)piperidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 53346561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).