5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride

C6H10ClF2N — CID 84717355

IUPAC5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC1(F)CC2CC1CN2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-5-1-4(6)3-9-5;/h4-5,9H,1-3H2;1H
InChIKeyQMDZLCXWXXBOKU-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.43
Rot. Bonds

About 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride

5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 84717355) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID84717355
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC1(F)CC2CC1CN2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-5-1-4(6)3-9-5;/h4-5,9H,1-3H2;1H
InChIKeyQMDZLCXWXXBOKU-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 84717355) is 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride is Cl.FC1(F)CC2CC1CN2.
What is the InChIKey of 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is QMDZLCXWXXBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)2-5-1-4(6)3-9-5;/h4-5,9H,1-3H2;1H.
What are the key properties of 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 84717355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).