6,6-difluoro-2-azabicyclo[3.2.1]octane

C7H11F2N — CID 105429018

IUPAC6,6-difluoro-2-azabicyclo[3.2.1]octane
SMILESFC1(F)CC2CC1CCN2
InChIInChI=1S/C7H11F2N/c8-7(9)4-6-3-5(7)1-2-10-6/h5-6,10H,1-4H2
InChIKeyYNYHNBUYLQOGSF-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.39
Rot. Bonds

About 6,6-difluoro-2-azabicyclo[3.2.1]octane

6,6-difluoro-2-azabicyclo[3.2.1]octane (PubChem CID 105429018) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 6,6-difluoro-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6,6-difluoro-2-azabicyclo[3.2.1]octane
PubChem CID105429018
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name6,6-difluoro-2-azabicyclo[3.2.1]octane
SMILESFC1(F)CC2CC1CCN2
InChIInChI=1S/C7H11F2N/c8-7(9)4-6-3-5(7)1-2-10-6/h5-6,10H,1-4H2
InChIKeyYNYHNBUYLQOGSF-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.39
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[3.2.1]octane?
The IUPAC name of 6,6-difluoro-2-azabicyclo[3.2.1]octane (CID 105429018) is 6,6-difluoro-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6,6-difluoro-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 6,6-difluoro-2-azabicyclo[3.2.1]octane is FC1(F)CC2CC1CCN2.
What is the InChIKey of 6,6-difluoro-2-azabicyclo[3.2.1]octane?
The InChIKey is YNYHNBUYLQOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)4-6-3-5(7)1-2-10-6/h5-6,10H,1-4H2.
What are the key properties of 6,6-difluoro-2-azabicyclo[3.2.1]octane?
6,6-difluoro-2-azabicyclo[3.2.1]octane has a molecular weight of 147.17 g/mol, XLogP of 1.39, 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[3.2.1]octane is sourced from PubChem (CID 105429018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).