2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol

C8H15F2NO3S — CID 62356107

IUPAC2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(C(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C8H15F2NO3S/c9-8(10)15(13,14)11-4-1-2-7(6-11)3-5-12/h7-8,12H,1-6H2
InChIKeyXFLHFGZUCJSHDI-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.63
Rot. Bonds4

About 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol

2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 62356107) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol
PubChem CID62356107
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(C(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C8H15F2NO3S/c9-8(10)15(13,14)11-4-1-2-7(6-11)3-5-12/h7-8,12H,1-6H2
InChIKeyXFLHFGZUCJSHDI-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol (CID 62356107) is 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol is O=S(=O)(C(F)F)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is XFLHFGZUCJSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c9-8(10)15(13,14)11-4-1-2-7(6-11)3-5-12/h7-8,12H,1-6H2.
What are the key properties of 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 243.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62356107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).