8,8-difluoro-3,6-diazabicyclo[3.2.1]octane

C6H10F2N2 — CID 105429167

IUPAC8,8-difluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1NC2
InChIInChI=1S/C6H10F2N2/c7-6(8)4-1-9-3-5(6)10-2-4/h4-5,9-10H,1-3H2
InChIKeyASMVESAXWXHFNB-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.19
Rot. Bonds

About 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane

8,8-difluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105429167) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8,8-difluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID105429167
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name8,8-difluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1NC2
InChIInChI=1S/C6H10F2N2/c7-6(8)4-1-9-3-5(6)10-2-4/h4-5,9-10H,1-3H2
InChIKeyASMVESAXWXHFNB-UHFFFAOYSA-N
XLogP-0.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane (CID 105429167) is 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane is FC1(F)C2CNCC1NC2.
What is the InChIKey of 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is ASMVESAXWXHFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c7-6(8)4-1-9-3-5(6)10-2-4/h4-5,9-10H,1-3H2.
What are the key properties of 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane?
8,8-difluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 148.16 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105429167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).