2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride

C7H16Cl2F2N2 — CID 69457238

IUPAC2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
SMILESCl.Cl.NCC(F)(F)C1CCCCN1
InChIInChI=1S/C7H14F2N2.2ClH/c8-7(9,5-10)6-3-1-2-4-11-6;;/h6,11H,1-5,10H2;2*1H
InChIKeyKXYHITZYXOYTOI-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.57
Rot. Bonds2

About 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride

2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride (PubChem CID 69457238) has the molecular formula C7H16Cl2F2N2 and a molecular weight of 237.12 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
PubChem CID69457238
Molecular FormulaC7H16Cl2F2N2
Molecular Weight237.12 g/mol
Exact Mass236.07
IUPAC Name2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
SMILESCl.Cl.NCC(F)(F)C1CCCCN1
InChIInChI=1S/C7H14F2N2.2ClH/c8-7(9,5-10)6-3-1-2-4-11-6;;/h6,11H,1-5,10H2;2*1H
InChIKeyKXYHITZYXOYTOI-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride?
The IUPAC name of 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride (CID 69457238) is 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride.
What is the SMILES notation for 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride?
The canonical SMILES for 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride is Cl.Cl.NCC(F)(F)C1CCCCN1.
What is the InChIKey of 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride?
The InChIKey is KXYHITZYXOYTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2.2ClH/c8-7(9,5-10)6-3-1-2-4-11-6;;/h6,11H,1-5,10H2;2*1H.
What are the key properties of 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride?
2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride has a molecular weight of 237.12 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride is sourced from PubChem (CID 69457238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).