4,4-difluoropiperidin-1-amine;hydrochloride

C5H11ClF2N2 — CID 68872860

IUPAC4,4-difluoropiperidin-1-amine;hydrochloride
SMILESCl.NN1CCC(F)(F)CC1
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H
InChIKeyLGGVLGIRPRCSTN-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.01
Rot. Bonds

About 4,4-difluoropiperidin-1-amine;hydrochloride

4,4-difluoropiperidin-1-amine;hydrochloride (PubChem CID 68872860) has the molecular formula C5H11ClF2N2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 4,4-difluoropiperidin-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoropiperidin-1-amine;hydrochloride
PubChem CID68872860
Molecular FormulaC5H11ClF2N2
Molecular Weight172.61 g/mol
Exact Mass172.06
IUPAC Name4,4-difluoropiperidin-1-amine;hydrochloride
SMILESCl.NN1CCC(F)(F)CC1
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H
InChIKeyLGGVLGIRPRCSTN-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidin-1-amine;hydrochloride?
The IUPAC name of 4,4-difluoropiperidin-1-amine;hydrochloride (CID 68872860) is 4,4-difluoropiperidin-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoropiperidin-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluoropiperidin-1-amine;hydrochloride is Cl.NN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidin-1-amine;hydrochloride?
The InChIKey is LGGVLGIRPRCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H.
What are the key properties of 4,4-difluoropiperidin-1-amine;hydrochloride?
4,4-difluoropiperidin-1-amine;hydrochloride has a molecular weight of 172.61 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidin-1-amine;hydrochloride is sourced from PubChem (CID 68872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).