8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C8H12F3NO3S — CID 63763689

IUPAC8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C8H12F3NO3S/c9-8(10,11)16(14,15)12-5-1-2-6(12)4-7(13)3-5/h5-7,13H,1-4H2
InChIKeyITRFSLNGHOLNSF-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.82
Rot. Bonds1

About 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763689) has the molecular formula C8H12F3NO3S and a molecular weight of 259.25 g/mol. Its IUPAC name is 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763689
Molecular FormulaC8H12F3NO3S
Molecular Weight259.25 g/mol
Exact Mass259.05
IUPAC Name8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C8H12F3NO3S/c9-8(10,11)16(14,15)12-5-1-2-6(12)4-7(13)3-5/h5-7,13H,1-4H2
InChIKeyITRFSLNGHOLNSF-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763689) is 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(N1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ITRFSLNGHOLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3S/c9-8(10,11)16(14,15)12-5-1-2-6(12)4-7(13)3-5/h5-7,13H,1-4H2.
What are the key properties of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 259.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).