6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride

C6H10ClF2N — CID 91933771

IUPAC6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride
SMILESCl.FC1(F)CC2CNCC21
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)1-4-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H
InChIKeyNJBGNMIKAIZJQQ-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.28
Rot. Bonds

About 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride

6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride (PubChem CID 91933771) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride
PubChem CID91933771
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride
SMILESCl.FC1(F)CC2CNCC21
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)1-4-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H
InChIKeyNJBGNMIKAIZJQQ-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride?
The IUPAC name of 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride (CID 91933771) is 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride?
The canonical SMILES for 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride is Cl.FC1(F)CC2CNCC21.
What is the InChIKey of 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride?
The InChIKey is NJBGNMIKAIZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)1-4-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H.
What are the key properties of 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride?
6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride is sourced from PubChem (CID 91933771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).