2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol

C6H11F2NO3S — CID 131142674

IUPAC2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)1-2-9(5-6)13(11,12)4-3-10/h10H,1-5H2
InChIKeyYFMWYKHYULDOGB-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.35
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol

2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol (PubChem CID 131142674) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol
PubChem CID131142674
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)1-2-9(5-6)13(11,12)4-3-10/h10H,1-5H2
InChIKeyYFMWYKHYULDOGB-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol (CID 131142674) is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol is O=S(=O)(CCO)N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol?
The InChIKey is YFMWYKHYULDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)1-2-9(5-6)13(11,12)4-3-10/h10H,1-5H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol?
2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol has a molecular weight of 215.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanol is sourced from PubChem (CID 131142674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).