8-fluoro-6-thia-3-azabicyclo[3.2.1]octane

C6H10FNS — CID 105429079

IUPAC8-fluoro-6-thia-3-azabicyclo[3.2.1]octane
SMILESFC1C2CNCC1SC2
InChIInChI=1S/C6H10FNS/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3H2
InChIKeyVYQMQAFPAZMVLW-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.66
Rot. Bonds

About 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane

8-fluoro-6-thia-3-azabicyclo[3.2.1]octane (PubChem CID 105429079) has the molecular formula C6H10FNS and a molecular weight of 147.22 g/mol. Its IUPAC name is 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-6-thia-3-azabicyclo[3.2.1]octane
PubChem CID105429079
Molecular FormulaC6H10FNS
Molecular Weight147.22 g/mol
Exact Mass147.05
IUPAC Name8-fluoro-6-thia-3-azabicyclo[3.2.1]octane
SMILESFC1C2CNCC1SC2
InChIInChI=1S/C6H10FNS/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3H2
InChIKeyVYQMQAFPAZMVLW-UHFFFAOYSA-N
XLogP0.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane (CID 105429079) is 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane is FC1C2CNCC1SC2.
What is the InChIKey of 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane?
The InChIKey is VYQMQAFPAZMVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNS/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3H2.
What are the key properties of 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane?
8-fluoro-6-thia-3-azabicyclo[3.2.1]octane has a molecular weight of 147.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-thia-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105429079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).