8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H18F3NO3S — CID 83059094

IUPAC8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H18F3NO3S/c12-11(13,14)4-1-5-19(17,18)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,1-7H2
InChIKeyYUEDJDMIQYKWCB-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.65
Rot. Bonds4

About 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 83059094) has the molecular formula C11H18F3NO3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID83059094
Molecular FormulaC11H18F3NO3S
Molecular Weight301.33 g/mol
Exact Mass301.10
IUPAC Name8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCCC(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H18F3NO3S/c12-11(13,14)4-1-5-19(17,18)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,1-7H2
InChIKeyYUEDJDMIQYKWCB-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763689
8-(Difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63764382
1-[1-(Difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79536457
1-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 83059717
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]propan-2-ol
CID 83059849
2-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]ethanol
CID 83060124
3-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 83060125
8-[2-(Trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 116617471
8-Methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
8-Propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764557
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 122663030

Frequently Asked Questions

What is the IUPAC name of 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 83059094) is 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(CCCC(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YUEDJDMIQYKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3S/c12-11(13,14)4-1-5-19(17,18)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,1-7H2.
What are the key properties of 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 301.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 83059094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).