8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane

C6H9F2NS — CID 105432720

IUPAC8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1SC2
InChIInChI=1S/C6H9F2NS/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2
InChIKeyQBNZITFROVKXTP-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.96
Rot. Bonds

About 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane

8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane (PubChem CID 105432720) has the molecular formula C6H9F2NS and a molecular weight of 165.21 g/mol. Its IUPAC name is 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane
PubChem CID105432720
Molecular FormulaC6H9F2NS
Molecular Weight165.21 g/mol
Exact Mass165.04
IUPAC Name8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1SC2
InChIInChI=1S/C6H9F2NS/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2
InChIKeyQBNZITFROVKXTP-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane (CID 105432720) is 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane is FC1(F)C2CNCC1SC2.
What is the InChIKey of 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane?
The InChIKey is QBNZITFROVKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NS/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2.
What are the key properties of 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane?
8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane has a molecular weight of 165.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-6-thia-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105432720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).