6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride

C6H10ClF2N — CID 127264201

IUPAC6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC1(F)CC2CNC1C2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-4-1-5(6)9-3-4;/h4-5,9H,1-3H2;1H
InChIKeyNTGJGSSRQVJJEJ-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.43
Rot. Bonds

About 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride

6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 127264201) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID127264201
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.FC1(F)CC2CNC1C2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-4-1-5(6)9-3-4;/h4-5,9H,1-3H2;1H
InChIKeyNTGJGSSRQVJJEJ-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 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 127264201) is 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride is Cl.FC1(F)CC2CNC1C2.
What is the InChIKey of 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is NTGJGSSRQVJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)2-4-1-5(6)9-3-4;/h4-5,9H,1-3H2;1H.
What are the key properties of 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride?
6,6-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 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 127264201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).