5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

C11H20F3NO3S — CID 79952729

IUPAC5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO3S/c1-19(17,18)15-6-2-3-9(8-15)7-10(16)4-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyYQOOULIYKVUTIU-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.75
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (PubChem CID 79952729) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
PubChem CID79952729
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO3S/c1-19(17,18)15-6-2-3-9(8-15)7-10(16)4-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyYQOOULIYKVUTIU-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (CID 79952729) is 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is CS(=O)(=O)N1CCCC(CC(O)CCC(F)(F)F)C1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The InChIKey is YQOOULIYKVUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-19(17,18)15-6-2-3-9(8-15)7-10(16)4-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol has a molecular weight of 303.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is sourced from PubChem (CID 79952729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).