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

C8H13F2NO3S — CID 63764382

IUPAC8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C8H13F2NO3S/c9-8(10)15(13,14)11-5-1-2-6(11)4-7(12)3-5/h5-8,12H,1-4H2
InChIKeyWBDVBFFTJGNQSB-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.53
Rot. Bonds2

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

8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764382) has the molecular formula C8H13F2NO3S and a molecular weight of 241.26 g/mol. Its IUPAC name is 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764382
Molecular FormulaC8H13F2NO3S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C8H13F2NO3S/c9-8(10)15(13,14)11-5-1-2-6(11)4-7(12)3-5/h5-8,12H,1-4H2
InChIKeyWBDVBFFTJGNQSB-UHFFFAOYSA-N
XLogP0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63764382) is 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(C(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WBDVBFFTJGNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3S/c9-8(10)15(13,14)11-5-1-2-6(11)4-7(12)3-5/h5-8,12H,1-4H2.
What are the key properties of 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 241.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).