[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol

C7H12F3NO3S — CID 43574522

IUPAC[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(N1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h6,12H,1-5H2
InChIKeyTWIDKRXEYZRMIU-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.68
Rot. Bonds2

About [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol

[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol (PubChem CID 43574522) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol
PubChem CID43574522
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(N1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h6,12H,1-5H2
InChIKeyTWIDKRXEYZRMIU-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol (CID 43574522) is [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(N1CCCCC1CO)C(F)(F)F.
What is the InChIKey of [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is TWIDKRXEYZRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-4-2-1-3-6(11)5-12/h6,12H,1-5H2.
What are the key properties of [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol?
[1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol has a molecular weight of 247.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)piperidin-2-yl]methanol is sourced from PubChem (CID 43574522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).